200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 70013-40-0
70013-40-0 | 1-[5-(2-NITROPHENYL)THIEN-2-YL]ETHANONE
CAS No: 70013-40-0 Catalog No: AG00FC6H MDL No:MFCD06655431
Product Description
Catalog Number:
AG00FC6H
Chemical Name:
1-[5-(2-NITROPHENYL)THIEN-2-YL]ETHANONE
CAS Number:
70013-40-0
Molecular Formula:
C12H9NO3S
Molecular Weight:
247.2698
MDL Number:
MFCD06655431
IUPAC Name:
1-[5-(2-nitrophenyl)thiophen-2-yl]ethanone
InChI:
InChI=1S/C12H9NO3S/c1-8(14)11-6-7-12(17-11)9-4-2-3-5-10(9)13(15)16/h2-7H,1H3
InChI Key:
LOTZHTNRBWCOJB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1ccc(s1)C(=O)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.268g/mol
Monoisotopic Mass:
247.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.