200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 87388-61-2
87388-61-2 | 1H-Pyrrole, 3-(methylsulfonyl)-4-(3-nitrophenyl)-
CAS No: 87388-61-2 Catalog No: AG004NQN MDL No:
Product Description
Catalog Number:
AG004NQN
Chemical Name:
1H-Pyrrole, 3-(methylsulfonyl)-4-(3-nitrophenyl)-
CAS Number:
87388-61-2
Molecular Formula:
C11H10N2O4S
Molecular Weight:
266.2731
IUPAC Name:
3-methylsulfonyl-4-(3-nitrophenyl)-1H-pyrrole
InChI:
InChI=1S/C11H10N2O4S/c1-18(16,17)11-7-12-6-10(11)8-3-2-4-9(5-8)13(14)15/h2-7,12H,1H3
InChI Key:
NITOZBUZSRAZQI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1c[nH]cc1S(=O)(=O)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.271g/mol
Monoisotopic Mass:
266.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.