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Erlotinib impurity A - ≥95% , CAS No.183321-85-9

Erlotinib impurity A - ≥95% , CAS No.183321-85-9

Name: Erlotinib impurity A - ≥95% , CAS No.183321-85-9
Brand: Aladdin Scientific
SKU: E1329653
Availability: InStock

CAS: 183321-85-9 Cat. No.: E1329653 Formula: C21H20ClN3O3 PubChem CID: 16045728

COA

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AVAILABLE TO ORDER

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Advanced Data 3D Structure Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Canonical Smiles

COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCCl

IUPAC Name

7-(2-chloroethoxy)-N-(3-ethynylphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine

InChIKey

BIHHIONDWPZXJC-UHFFFAOYSA-N

INCHI

1S/C21H20ClN3O3/c1-3-15-5-4-6-16(11-15)25-21-17-12-19(28-10-9-26-2)20(27-8-7-22)13-18(17)23-14-24-21/h1,4-6,11-14H,7-10H2,2H3,(H,23,24,25)

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCCl

PubChem CID

16045728

Advanced Data

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	397.900 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	397.119 Da
Monoisotopic Mass	397.119 Da
Topological Polar Surface Area	65.500 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	514.000
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

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Reviews

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