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1226776-82-4 | Benzeneacetic acid, 2,6-difluoro-α-methyl-4-nitro-
CAS No: 1226776-82-4 Catalog No: AG0017LM MDL No:MFCD16495905
Product Description
Catalog Number:
AG0017LM
Chemical Name:
Benzeneacetic acid, 2,6-difluoro-α-methyl-4-nitro-
CAS Number:
1226776-82-4
Molecular Formula:
C9H7F2NO4
Molecular Weight:
231.1530
MDL Number:
MFCD16495905
IUPAC Name:
2-(2,6-difluoro-4-nitrophenyl)propanoic acid
InChI:
InChI=1S/C9H7F2NO4/c1-4(9(13)14)8-6(10)2-5(12(15)16)3-7(8)11/h2-4H,1H3,(H,13,14)
InChI Key:
BLZPGURBRHOGGM-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1c(F)cc(cc1F)[N+](=O)[O-])C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.034g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.155g/mol
Monoisotopic Mass:
231.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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