200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 821005-81-6
821005-81-6 | Oxonium, methyl[(3-nitrophenyl)phenylmethylene]-
CAS No: 821005-81-6 Catalog No: AG004WIO MDL No:
Product Description
Catalog Number:
AG004WIO
Chemical Name:
Oxonium, methyl[(3-nitrophenyl)phenylmethylene]-
CAS Number:
821005-81-6
Molecular Formula:
C14H12NO3+
Molecular Weight:
242.2500
IUPAC Name:
methyl-[(3-nitrophenyl)-phenylmethylidene]oxidanium
InChI:
InChI=1S/C14H12NO3/c1-18-14(11-6-3-2-4-7-11)12-8-5-9-13(10-12)15(16)17/h2-10H,1H3/q+1
InChI Key:
POEIHIWNGMVIRR-UHFFFAOYSA-N
SMILES:
C[O+]=C(c1cccc(c1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.082g/mol
Formal Charge:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.254g/mol
Monoisotopic Mass:
242.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.