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192631-76-8 | 4-Pyrimidinamine, 6-chloro-5-nitro-2-phenyl-N-(phenylmethyl)-
CAS No: 192631-76-8 Catalog No: AG002G5M MDL No:
Product Description
Catalog Number:
AG002G5M
Chemical Name:
4-Pyrimidinamine, 6-chloro-5-nitro-2-phenyl-N-(phenylmethyl)-
CAS Number:
192631-76-8
Molecular Formula:
C17H13ClN4O2
Molecular Weight:
340.7637
IUPAC Name:
N-benzyl-6-chloro-5-nitro-2-phenylpyrimidin-4-amine
InChI:
InChI=1S/C17H13ClN4O2/c18-15-14(22(23)24)17(19-11-12-7-3-1-4-8-12)21-16(20-15)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20,21)
InChI Key:
ZJZLVKXSNPRVDB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(NCc2ccccc2)nc(nc1Cl)c1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.073g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.767g/mol
Monoisotopic Mass:
340.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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