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3032-32-4 | Benzoic acid, 2-amino-3,6-dichloro-
CAS No: 3032-32-4 Catalog No: AG002ZRF MDL No:MFCD00052390
Product Description
Catalog Number:
AG002ZRF
Chemical Name:
Benzoic acid, 2-amino-3,6-dichloro-
CAS Number:
3032-32-4
Molecular Formula:
C7H5Cl2NO2
Molecular Weight:
206.0261
MDL Number:
MFCD00052390
IUPAC Name:
2-amino-3,6-dichlorobenzoic acid
InChI:
InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,10H2,(H,11,12)
InChI Key:
MMIREQFMYZQWLU-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1N)C(=O)O)Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.022g/mol
Monoisotopic Mass:
204.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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