7-bromoquinazoline - ≥97% , CAS No.89892-22-8

CAS: 89892-22-8 Cat. No.: B178096 분자식: C₈H₅BrN₂ 분자량: 209.04

등급 & 순도 ≥97%

Synonyms

DTXSID30458338 | PB23522 | MFCD07778500 | AKOS015835910 | AC-23010 | 7-bromoquinazoline, AldrichCPR | KMVULHBAEVRKCP-UHFFFAOYSA-N | 7-bromoquinazoline | 7-Bromo-quinazoline | Quinazoline, 7-bromo- | SCHEMBL1426869 | FS-3767 | ACETICACIDTRANS-2-DECEN-1-YLE

Storage

Room temperature

Shipped In

Normal

사양

동의어

DTXSID30458338 | PB23522 | MFCD07778500 | AKOS015835910 | AC-23010 | 7-bromoquinazoline, AldrichCPR | KMVULHBAEVRKCP-UHFFFAOYSA-N | 7-bromoquinazoline | 7-Bromo-quinazoline | Quinazoline, 7-bromo- | SCHEMBL1426869 | FS-3767 | ACETICACIDTRANS-2-DECEN-1-YLE

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

528762754

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528762754

정식 스마일

C1=CC2=CN=CN=C2C=C1Br

IUPAC Name

7-bromoquinazoline

InChIKey

KMVULHBAEVRKCP-UHFFFAOYSA-N

INCHI

1S/C8H5BrN2/c9-7-2-1-6-4-10-5-11-8(6)3-7/h1-5H

이성체 SMILES

C1=CC2=CN=CN=C2C=C1Br

분자량

209.04

Reaxy-Rn

508957

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508957&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Pyrimidines and pyrimidine derivatives Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Benzenoid - Pyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 분자량: 209.040 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 207.964 Da
• Monoisotopic Mass: 207.964 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1