200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 164161-49-3
164161-49-3 | Benzoic acid, 4-methoxy-2-nitro-5-(phenylmethoxy)-, methyl ester
CAS No: 164161-49-3 Catalog No: AG001UOW MDL No:MFCD17168894
Product Description
Catalog Number:
AG001UOW
Chemical Name:
Benzoic acid, 4-methoxy-2-nitro-5-(phenylmethoxy)-, methyl ester
CAS Number:
164161-49-3
Molecular Formula:
C16H15NO6
Molecular Weight:
317.2934
MDL Number:
MFCD17168894
IUPAC Name:
methyl 4-methoxy-2-nitro-5-phenylmethoxybenzoate
InChI:
InChI=1S/C16H15NO6/c1-21-14-9-13(17(19)20)12(16(18)22-2)8-15(14)23-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChI Key:
SHQBNKDRVJNGDX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OCc2ccccc2)c(cc1[N+](=O)[O-])OC
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.09g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.297g/mol
Monoisotopic Mass:
317.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.