200,000+ products from a single source!
sales@angenechem.com
88599-40-0 | Benzoic acid, 2-[(aminocarbonyl)oxy]-5-chloro-, propyl ester
CAS No: 88599-40-0 Catalog No: AG004CJS MDL No:
Product Description
Catalog Number:
AG004CJS
Chemical Name:
Benzoic acid, 2-[(aminocarbonyl)oxy]-5-chloro-, propyl ester
CAS Number:
88599-40-0
Molecular Formula:
C11H12ClNO4
Molecular Weight:
257.6703
IUPAC Name:
propyl 2-carbamoyloxy-5-chlorobenzoate
InChI:
InChI=1S/C11H12ClNO4/c1-2-5-16-10(14)8-6-7(12)3-4-9(8)17-11(13)15/h3-4,6H,2,5H2,1H3,(H2,13,15)
InChI Key:
XPLBLGIYBPNBIK-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1cc(Cl)ccc1OC(=O)N
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.67g/mol
Monoisotopic Mass:
257.045g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.