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885268-26-8 | [1,1'-Biphenyl]-3-carboxylicacid, 4-amino-3',5'-dichloro-
CAS No: 885268-26-8 Catalog No: AG0048F3 MDL No:
Product Description
Catalog Number:
AG0048F3
Chemical Name:
[1,1'-Biphenyl]-3-carboxylicacid, 4-amino-3',5'-dichloro-
CAS Number:
885268-26-8
Molecular Formula:
C13H9Cl2NO2
Molecular Weight:
282.1221
IUPAC Name:
2-amino-5-(3,5-dichlorophenyl)benzoic acid
InChI:
InChI=1S/C13H9Cl2NO2/c14-9-3-8(4-10(15)6-9)7-1-2-12(16)11(5-7)13(17)18/h1-6H,16H2,(H,17,18)
InChI Key:
YMFHLZOANVWMPL-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)cc(c1)c1ccc(c(c1)C(=O)O)N
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.001g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.12g/mol
Monoisotopic Mass:
281.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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