200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1156940-16-7
1156940-16-7 | Benzoic acid, 3-chloro-5-nitro-, ethyl ester
CAS No: 1156940-16-7 Catalog No: AG000GQY MDL No:MFCD12172957
Product Description
Catalog Number:
AG000GQY
Chemical Name:
Benzoic acid, 3-chloro-5-nitro-, ethyl ester
CAS Number:
1156940-16-7
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
MDL Number:
MFCD12172957
IUPAC Name:
ethyl 3-chloro-5-nitrobenzoate
InChI:
InChI=1S/C9H8ClNO4/c1-2-15-9(12)6-3-7(10)5-8(4-6)11(13)14/h3-5H,2H2,1H3
InChI Key:
ULVDREMXRMEWOP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Cl)cc(c1)[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.616g/mol
Monoisotopic Mass:
229.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.