200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 957320-38-6
957320-38-6 | 1-(3,4-DIMETHOXY-BENZYL)-3,5-DIMETHYL-4-NITRO-1H-PYRAZOLE
CAS No: 957320-38-6 Catalog No: AG01ANXP MDL No:MFCD03165041
Product Description
Catalog Number:
AG01ANXP
Chemical Name:
1-(3,4-DIMETHOXY-BENZYL)-3,5-DIMETHYL-4-NITRO-1H-PYRAZOLE
CAS Number:
957320-38-6
Molecular Formula:
C14H17N3O4
Molecular Weight:
291.3025
MDL Number:
MFCD03165041
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-4-nitropyrazole
InChI:
InChI=1S/C14H17N3O4/c1-9-14(17(18)19)10(2)16(15-9)8-11-5-6-12(20-3)13(7-11)21-4/h5-7H,8H2,1-4H3
InChI Key:
ODQCPADSBRQTKN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)Cn1nc(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.307g/mol
Monoisotopic Mass:
291.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.