200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 476309-42-9
476309-42-9 | N-benzyl-5-nitro-1-benzothiophene-2-carboxamide
CAS No: 476309-42-9 Catalog No: AG00IN6O MDL No:MFCD02082840
Product Description
Catalog Number:
AG00IN6O
Chemical Name:
N-benzyl-5-nitro-1-benzothiophene-2-carboxamide
CAS Number:
476309-42-9
Molecular Formula:
C16H12N2O3S
Molecular Weight:
312.3431
MDL Number:
MFCD02082840
IUPAC Name:
N-benzyl-5-nitro-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C16H12N2O3S/c19-16(17-10-11-4-2-1-3-5-11)15-9-12-8-13(18(20)21)6-7-14(12)22-15/h1-9H,10H2,(H,17,19)
InChI Key:
CZAOVXBXYUIQKH-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c(s1)ccc(c2)[N+](=O)[O-])NCc1ccccc1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.057g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.343g/mol
Monoisotopic Mass:
312.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.