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1261782-84-6 | [1,1'-Biphenyl]-3-carboxylic acid, 5-nitro-4'-(trifluoromethoxy)-
CAS No: 1261782-84-6 Catalog No: AG000S0C MDL No:MFCD18322454
Product Description
Catalog Number:
AG000S0C
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 5-nitro-4'-(trifluoromethoxy)-
CAS Number:
1261782-84-6
Molecular Formula:
C14H8F3NO5
Molecular Weight:
327.2122
MDL Number:
MFCD18322454
IUPAC Name:
3-nitro-5-[4-(trifluoromethoxy)phenyl]benzoic acid
InChI:
InChI=1S/C14H8F3NO5/c15-14(16,17)23-12-3-1-8(2-4-12)9-5-10(13(19)20)7-11(6-9)18(21)22/h1-7H,(H,19,20)
InChI Key:
ZMLDVKJABWTHCE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.035g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.215g/mol
Monoisotopic Mass:
327.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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