200,000+ products from a single source!
sales@angenechem.com
2045-23-0 | Benzoic acid, 4-[(2-chloroethyl)amino]-
CAS No: 2045-23-0 Catalog No: AG0029JJ MDL No:
Product Description
Catalog Number:
AG0029JJ
Chemical Name:
Benzoic acid, 4-[(2-chloroethyl)amino]-
CAS Number:
2045-23-0
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
IUPAC Name:
4-(2-chloroethylamino)benzoic acid
InChI:
InChI=1S/C9H10ClNO2/c10-5-6-11-8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChI Key:
UWDKMSKDFPXPAM-UHFFFAOYSA-N
SMILES:
ClCCNc1ccc(cc1)C(=O)O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.