200,000+ products from a single source!
sales@angenechem.com
116621-19-3 | Benzoic acid, 2-chloro-6-methyl-4-nitro-, methyl ester
CAS No: 116621-19-3 Catalog No: AG000CWG MDL No:
Product Description
Catalog Number:
AG000CWG
Chemical Name:
Benzoic acid, 2-chloro-6-methyl-4-nitro-, methyl ester
CAS Number:
116621-19-3
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
IUPAC Name:
methyl 2-chloro-6-methyl-4-nitrobenzoate
InChI:
InChI=1S/C9H8ClNO4/c1-5-3-6(11(13)14)4-7(10)8(5)9(12)15-2/h3-4H,1-2H3
InChI Key:
JROGQAPWAHKCSF-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(cc1Cl)[N+](=O)[O-]
Properties
Complexity:
265
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:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.