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1261580-95-3 | Benzeneacetic acid, 2-amino-6-chloro-
CAS No: 1261580-95-3 Catalog No: AG000RUP MDL No:
Product Description
Catalog Number:
AG000RUP
Chemical Name:
Benzeneacetic acid, 2-amino-6-chloro-
CAS Number:
1261580-95-3
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
IUPAC Name:
2-(2-amino-6-chlorophenyl)acetic acid
InChI:
InChI=1S/C8H8ClNO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4,10H2,(H,11,12)
InChI Key:
FLLSSMAVDGPAHE-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(N)cccc1Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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