Name: 1-Bromo-4-(2-cbz-amino)vinylbenzene - ≥97% , CAS No.1228957-12-7
Brand: Aladdin Scientific
SKU: B180472
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Styrenes Bromobenzenes Aryl bromides Carbamate esters Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyloxycarbonyl - Styrene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carbamic acid ester - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
External Descriptors	Not available
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

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	332.190 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	331.021 Da
Monoisotopic Mass	331.021 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	318.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Solution Calculators

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Reviews

Canonical Smiles	C1=CC=C(C=C1)COC(=O)NC=CC2=CC=C(C=C2)Br
IUPAC Name	benzyl N-[(E)-2-(4-bromophenyl)ethenyl]carbamate
InChIKey	QTNNGECHOBOGOH-ZHACJKMWSA-N
INCHI	1S/C16H14BrNO2/c17-15-8-6-13(7-9-15)10-11-18-16(19)20-12-14-4-2-1-3-5-14/h1-11H,12H2,(H,18,19)/b11-10+
Isomeric SMILES	C1=CC=C(C=C1)COC(=O)N/C=C/C2=CC=C(C=C2)Br
PubChem CID	53216882
Molecular Weight	332.2

1-Bromo-4-(2-cbz-amino)vinylbenzene - ≥97% , CAS No.1228957-12-7

Specifications