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1261892-79-8 | [1,1'-Biphenyl]-3-carboxylic acid, 2'-chloro-5'-methoxy-5-nitro-
CAS No: 1261892-79-8 Catalog No: AG000S2V MDL No:MFCD18321637
Product Description
Catalog Number:
AG000S2V
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2'-chloro-5'-methoxy-5-nitro-
CAS Number:
1261892-79-8
Molecular Formula:
C14H10ClNO5
Molecular Weight:
307.6859
MDL Number:
MFCD18321637
IUPAC Name:
3-(2-chloro-5-methoxyphenyl)-5-nitrobenzoic acid
InChI:
InChI=1S/C14H10ClNO5/c1-21-11-2-3-13(15)12(7-11)8-4-9(14(17)18)6-10(5-8)16(19)20/h2-7H,1H3,(H,17,18)
InChI Key:
HAEVOZUCOYDDGS-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-])Cl
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.025g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.686g/mol
Monoisotopic Mass:
307.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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