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1394346-86-1 | Benzoic acid, 2-chloro-5-[(2-chloro-4-pyrimidinyl)methylamino]-
CAS No: 1394346-86-1 Catalog No: AG001B0B MDL No:
Product Description
Catalog Number:
AG001B0B
Chemical Name:
Benzoic acid, 2-chloro-5-[(2-chloro-4-pyrimidinyl)methylamino]-
CAS Number:
1394346-86-1
Molecular Formula:
C12H9Cl2N3O2
Molecular Weight:
298.1248
IUPAC Name:
2-chloro-5-[(2-chloropyrimidin-4-yl)-methylamino]benzoic acid
InChI:
InChI=1S/C12H9Cl2N3O2/c1-17(10-4-5-15-12(14)16-10)7-2-3-9(13)8(6-7)11(18)19/h2-6H,1H3,(H,18,19)
InChI Key:
IUBLQZXLDXIMQJ-UHFFFAOYSA-N
SMILES:
Clc1nccc(n1)CNc1ccc(c(c1)C(=O)O)Cl
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.007g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.123g/mol
Monoisotopic Mass:
297.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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