200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1000339-22-9
1000339-22-9 | Benzeneacetic acid, 4,5-difluoro-2-nitro-
CAS No: 1000339-22-9 Catalog No: AG0000CQ MDL No:MFCD09878318
Product Description
Catalog Number:
AG0000CQ
Chemical Name:
Benzeneacetic acid, 4,5-difluoro-2-nitro-
CAS Number:
1000339-22-9
Molecular Formula:
C8H5F2NO4
Molecular Weight:
217.1264
MDL Number:
MFCD09878318
IUPAC Name:
2-(4,5-difluoro-2-nitrophenyl)acetic acid
InChI:
InChI=1S/C8H5F2NO4/c9-5-1-4(2-8(12)13)7(11(14)15)3-6(5)10/h1,3H,2H2,(H,12,13)
InChI Key:
MKRFZKGJZRUCEG-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(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:
1
Isotope Atom Count:
0
Molecular Weight:
217.128g/mol
Monoisotopic Mass:
217.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.