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Home Halogens 4-Pyrimidinamine, 2-chloro-N-(3-chlorophenyl)-

4-Pyrimidinamine, 2-chloro-N-(3-chlorophenyl)-

CAS No.:
260045-66-7
Catalog Number:
AG00I4YE
Molecular Formula:
C10H7Cl2N3
Molecular Weight:
240.0887
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Product Description
Catalog Number:
AG00I4YE
Chemical Name:
4-Pyrimidinamine, 2-chloro-N-(3-chlorophenyl)-
CAS Number:
260045-66-7
Molecular Formula:
C10H7Cl2N3
Molecular Weight:
240.0887
MDL Number:
MFCD11505047
IUPAC Name:
2-chloro-N-(3-chlorophenyl)pyrimidin-4-amine
InChI:
InChI=1S/C10H7Cl2N3/c11-7-2-1-3-8(6-7)14-9-4-5-13-10(12)15-9/h1-6H,(H,13,14,15)
InChI Key:
CHNMIOTYEQOALT-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)Nc1ccnc(n1)Cl
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.002g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.087g/mol
Monoisotopic Mass:
239.002g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Development of erlotinib derivatives as CIP2A-ablating agents independent of EGFR activity. Bioorganic & medicinal chemistry 20121015
Properties