200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1261946-59-1
1261946-59-1 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-formyl-3-nitro-
CAS No: 1261946-59-1 Catalog No: AG000S7X MDL No:MFCD18319259
Product Description
Catalog Number:
AG000S7X
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-formyl-3-nitro-
CAS Number:
1261946-59-1
Molecular Formula:
C14H9NO5
Molecular Weight:
271.2250
MDL Number:
MFCD18319259
IUPAC Name:
4-(4-formylphenyl)-2-nitrobenzoic acid
InChI:
InChI=1S/C14H9NO5/c16-8-9-1-3-10(4-2-9)11-5-6-12(14(17)18)13(7-11)15(19)20/h1-8H,(H,17,18)
InChI Key:
LMTXRSVCAGZYBU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.228g/mol
Monoisotopic Mass:
271.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.