200,000+ products from a single source!
sales@angenechem.com
88194-11-0 | 1,3-Benzenedicarboxylic acid, 5-[(4-chloro-1-oxobutyl)amino]-
CAS No: 88194-11-0 Catalog No: AG004C5P MDL No:
Product Description
Catalog Number:
AG004C5P
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-[(4-chloro-1-oxobutyl)amino]-
CAS Number:
88194-11-0
Molecular Formula:
C12H12ClNO5
Molecular Weight:
285.6804
IUPAC Name:
5-(4-chlorobutanoylamino)benzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C12H12ClNO5/c13-3-1-2-10(15)14-9-5-7(11(16)17)4-8(6-9)12(18)19/h4-6H,1-3H2,(H,14,15)(H,16,17)(H,18,19)
InChI Key:
KRAGJPIZTXCKBQ-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.04g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.68g/mol
Monoisotopic Mass:
285.04g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.