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Home > Fluorides > 1015433-96-1
1015433-96-1 | Benzoic acid, 4,5-difluoro-2-nitro-, methyl ester
CAS No: 1015433-96-1 Catalog No: AG0004QT MDL No:MFCD11042825
Product Description
Catalog Number:
AG0004QT
Chemical Name:
Benzoic acid, 4,5-difluoro-2-nitro-, methyl ester
CAS Number:
1015433-96-1
Molecular Formula:
C8H5F2NO4
Molecular Weight:
217.1264
MDL Number:
MFCD11042825
IUPAC Name:
methyl 4,5-difluoro-2-nitrobenzoate
InChI:
InChI=1S/C8H5F2NO4/c1-15-8(12)4-2-5(9)6(10)3-7(4)11(13)14/h2-3H,1H3
InChI Key:
JHWZADUIXGMAKM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(cc1[N+](=O)[O-])F
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.128g/mol
Monoisotopic Mass:
217.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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