200,000+ products from a single source!
sales@angenechem.com
1261984-00-2 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-[(cyclopropylamino)carbonyl]-
CAS No: 1261984-00-2 Catalog No: AG000SAO MDL No:MFCD18322387
Product Description
Catalog Number:
AG000SAO
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-[(cyclopropylamino)carbonyl]-
CAS Number:
1261984-00-2
Molecular Formula:
C17H14ClNO3
Molecular Weight:
315.7510
MDL Number:
MFCD18322387
IUPAC Name:
2-chloro-4-[3-(cyclopropylcarbamoyl)phenyl]benzoic acid
InChI:
InChI=1S/C17H14ClNO3/c18-15-9-11(4-7-14(15)17(21)22)10-2-1-3-12(8-10)16(20)19-13-5-6-13/h1-4,7-9,13H,5-6H2,(H,19,20)(H,21,22)
InChI Key:
SYJLBFOGPLSIKI-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)c1ccc(c(c1)Cl)C(=O)O)NC1CC1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.066g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.753g/mol
Monoisotopic Mass:
315.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.