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1289187-97-8 | Pyrido[3,4-d]pyrimidin-4-amine, 6-chloro-
CAS No: 1289187-97-8 Catalog No: AG000YJ4 MDL No:
Product Description
Catalog Number:
AG000YJ4
Chemical Name:
Pyrido[3,4-d]pyrimidin-4-amine, 6-chloro-
CAS Number:
1289187-97-8
Molecular Formula:
C7H5ClN4
Molecular Weight:
180.5944
IUPAC Name:
6-chloropyrido[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C7H5ClN4/c8-6-1-4-5(2-10-6)11-3-12-7(4)9/h1-3H,(H2,9,11,12)
InChI Key:
QHJNXFUNGGUIDH-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(c1)c(N)ncn2
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.595g/mol
Monoisotopic Mass:
180.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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