200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1262004-76-1
1262004-76-1 | [1,1'-Biphenyl]-3,4'-dicarboxylic acid, 3'-chloro-, 3-methyl ester
CAS No: 1262004-76-1 Catalog No: AG000SC6 MDL No:MFCD18321211
Product Description
Catalog Number:
AG000SC6
Chemical Name:
[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 3'-chloro-, 3-methyl ester
CAS Number:
1262004-76-1
Molecular Formula:
C15H10ClO4-
Molecular Weight:
289.6905
MDL Number:
MFCD18321211
IUPAC Name:
2-chloro-4-(3-methoxycarbonylphenyl)benzoic acid
InChI:
InChI=1S/C15H11ClO4/c1-20-15(19)11-4-2-3-9(7-11)10-5-6-12(14(17)18)13(16)8-10/h2-8H,1H3,(H,17,18)
InChI Key:
VZNJWEPVHKLJCE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1ccc(c(c1)Cl)C(=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.035g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.699g/mol
Monoisotopic Mass:
290.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.