200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1000339-51-4
1000339-51-4 | Benzoic acid, 3-fluoro-2-nitro-
CAS No: 1000339-51-4 Catalog No: AG0000CA MDL No:MFCD07368342
Product Description
Catalog Number:
AG0000CA
Chemical Name:
Benzoic acid, 3-fluoro-2-nitro-
CAS Number:
1000339-51-4
Molecular Formula:
C7H4FNO4
Molecular Weight:
185.1094
MDL Number:
MFCD07368342
IUPAC Name:
3-fluoro-2-nitrobenzoic acid
InChI:
InChI=1S/C7H4FNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)
InChI Key:
DTGONJAUUOWYGB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(F)cccc1C(=O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.11g/mol
Monoisotopic Mass:
185.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Head-to-backbone cyclization of peptides on solid support by nucleophilic aromatic substitution. | The Journal of organic chemistry 20020222 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.