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1018502-06-1 | Benzamide, 3-amino-4-chloro-N-(3-pyridinylmethyl)-
CAS No: 1018502-06-1 Catalog No: AG0005Q4 MDL No:MFCD10021697
Product Description
Catalog Number:
AG0005Q4
Chemical Name:
Benzamide, 3-amino-4-chloro-N-(3-pyridinylmethyl)-
CAS Number:
1018502-06-1
Molecular Formula:
C13H12ClN3O
Molecular Weight:
261.7069
MDL Number:
MFCD10021697
IUPAC Name:
3-amino-4-chloro-N-(pyridin-3-ylmethyl)benzamide
InChI:
InChI=1S/C13H12ClN3O/c14-11-4-3-10(6-12(11)15)13(18)17-8-9-2-1-5-16-7-9/h1-7H,8,15H2,(H,17,18)
InChI Key:
TUTGNXCAERCAHY-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)N)Cl)NCc1cccnc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.709g/mol
Monoisotopic Mass:
261.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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