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76175-65-0 | 2-Pyrimidinamine, 4,6-dichloro-N-(phenylmethyl)-
CAS No: 76175-65-0 Catalog No: AG005FEM MDL No:
Product Description
Catalog Number:
AG005FEM
Chemical Name:
2-Pyrimidinamine, 4,6-dichloro-N-(phenylmethyl)-
CAS Number:
76175-65-0
Molecular Formula:
C11H9Cl2N3
Molecular Weight:
254.1153
IUPAC Name:
N-benzyl-4,6-dichloropyrimidin-2-amine
InChI:
InChI=1S/C11H9Cl2N3/c12-9-6-10(13)16-11(15-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15,16)
InChI Key:
XCVRIZSLZFDMRI-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)nc(n1)NCc1ccccc1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.114g/mol
Monoisotopic Mass:
253.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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