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1261967-52-5 | [1,1'-Biphenyl]-3-carboxylic acid, 2'-chloro-4'-methyl-5-nitro-
CAS No: 1261967-52-5 Catalog No: AG000S95 MDL No:MFCD18320737
Product Description
Catalog Number:
AG000S95
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2'-chloro-4'-methyl-5-nitro-
CAS Number:
1261967-52-5
Molecular Formula:
C14H10ClNO4
Molecular Weight:
291.6865
MDL Number:
MFCD18320737
IUPAC Name:
3-(2-chloro-4-methylphenyl)-5-nitrobenzoic acid
InChI:
InChI=1S/C14H10ClNO4/c1-8-2-3-12(13(15)4-8)9-5-10(14(17)18)7-11(6-9)16(19)20/h2-7H,1H3,(H,17,18)
InChI Key:
RZGAQDGKJGIPPL-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Cl)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.03g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.687g/mol
Monoisotopic Mass:
291.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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