200,000+ products from a single source!
sales@angenechem.com
835595-04-5 | Benzoic acid, 2-chloro-5-(5,6-dimethyl-1H-indol-2-yl)-
CAS No: 835595-04-5 Catalog No: AG004ZMS MDL No:
Product Description
Catalog Number:
AG004ZMS
Chemical Name:
Benzoic acid, 2-chloro-5-(5,6-dimethyl-1H-indol-2-yl)-
CAS Number:
835595-04-5
Molecular Formula:
C17H14ClNO2
Molecular Weight:
299.7516
IUPAC Name:
2-chloro-5-(5,6-dimethyl-1H-indol-2-yl)benzoic acid
InChI:
InChI=1S/C17H14ClNO2/c1-9-5-12-8-16(19-15(12)6-10(9)2)11-3-4-14(18)13(7-11)17(20)21/h3-8,19H,1-2H3,(H,20,21)
InChI Key:
HINWCMPTZXUHSI-UHFFFAOYSA-N
SMILES:
Cc1cc2[nH]c(cc2cc1C)c1ccc(c(c1)C(=O)O)Cl
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.071g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.754g/mol
Monoisotopic Mass:
299.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.