200,000+ products from a single source!
sales@angenechem.com
66658-58-0 | 2-chloro-5-(cyanomethyl)benzoic acid
CAS No: 66658-58-0 Catalog No: AG01FP91 MDL No:MFCD20484285
Product Description
Catalog Number:
AG01FP91
Chemical Name:
2-chloro-5-(cyanomethyl)benzoic acid
CAS Number:
66658-58-0
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD20484285
IUPAC Name:
2-chloro-5-(cyanomethyl)benzoic acid
InChI:
InChI=1S/C9H6ClNO2/c10-8-2-1-6(3-4-11)5-7(8)9(12)13/h1-2,5H,3H2,(H,12,13)
InChI Key:
LZFDWEZPOAIFCG-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)C(=O)O)Cl
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.009g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.602g/mol
Monoisotopic Mass:
195.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.