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85098-71-1 | Benzamide,2-amino-N-(2-chloroethyl)-
CAS No: 85098-71-1 Catalog No: AG004XKI MDL No:
Product Description
Catalog Number:
AG004XKI
Chemical Name:
Benzamide,2-amino-N-(2-chloroethyl)-
CAS Number:
85098-71-1
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
IUPAC Name:
2-amino-N-(2-chloroethyl)benzamide
InChI:
InChI=1S/C9H11ClN2O/c10-5-6-12-9(13)7-3-1-2-4-8(7)11/h1-4H,5-6,11H2,(H,12,13)
InChI Key:
YRIMPZJCTLXZAA-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)c1ccccc1N
EC Number:
285-423-0
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.65g/mol
Monoisotopic Mass:
198.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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