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1214360-56-1 | Benzeneacetic acid, 3-nitro-4-(trifluoromethyl)-
CAS No: 1214360-56-1 Catalog No: AG0014VP MDL No:MFCD13194460
Product Description
Catalog Number:
AG0014VP
Chemical Name:
Benzeneacetic acid, 3-nitro-4-(trifluoromethyl)-
CAS Number:
1214360-56-1
Molecular Formula:
C9H6F3NO4
Molecular Weight:
249.1434
MDL Number:
MFCD13194460
IUPAC Name:
2-[3-nitro-4-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H6F3NO4/c10-9(11,12)6-2-1-5(4-8(14)15)3-7(6)13(16)17/h1-3H,4H2,(H,14,15)
InChI Key:
JNYXIDXDESMHBW-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1)[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.145g/mol
Monoisotopic Mass:
249.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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