200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 181871-73-8
181871-73-8 | Benzoic acid, 4-methoxy-2-nitro-, methyl ester
CAS No: 181871-73-8 Catalog No: AG00236L MDL No:MFCD06658482
Product Description
Catalog Number:
AG00236L
Chemical Name:
Benzoic acid, 4-methoxy-2-nitro-, methyl ester
CAS Number:
181871-73-8
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD06658482
IUPAC Name:
methyl 4-methoxy-2-nitrobenzoate
InChI:
InChI=1S/C9H9NO5/c1-14-6-3-4-7(9(11)15-2)8(5-6)10(12)13/h3-5H,1-2H3
InChI Key:
APKDQNMBIHKQSF-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])C(=O)OC
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.