200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 100905-32-6
100905-32-6 | Benzoic acid, 4,5-dimethoxy-2-nitro-, phenyl ester
CAS No: 100905-32-6 Catalog No: AG00035D MDL No:
Product Description
Catalog Number:
AG00035D
Chemical Name:
Benzoic acid, 4,5-dimethoxy-2-nitro-, phenyl ester
CAS Number:
100905-32-6
Molecular Formula:
C15H13NO6
Molecular Weight:
303.2668
IUPAC Name:
phenyl 4,5-dimethoxy-2-nitrobenzoate
InChI:
InChI=1S/C15H13NO6/c1-20-13-8-11(12(16(18)19)9-14(13)21-2)15(17)22-10-6-4-3-5-7-10/h3-9H,1-2H3
InChI Key:
TZYWYUNYWPSVFQ-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)Oc2ccccc2)c(cc1OC)[N+](=O)[O-]
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.27g/mol
Monoisotopic Mass:
303.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.