200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 898778-34-2
898778-34-2 | 5-(1,3-DIOXOLAN-2-YL)-2-(4-NITROBENZOYL)THIOPHENE
CAS No: 898778-34-2 Catalog No: AG00GW97 MDL No:
Product Description
Catalog Number:
AG00GW97
Chemical Name:
5-(1,3-DIOXOLAN-2-YL)-2-(4-NITROBENZOYL)THIOPHENE
CAS Number:
898778-34-2
Molecular Formula:
C14H11NO5S
Molecular Weight:
305.3058
IUPAC Name:
[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(4-nitrophenyl)methanone
InChI:
InChI=1S/C14H11NO5S/c16-13(9-1-3-10(4-2-9)15(17)18)11-5-6-12(21-11)14-19-7-8-20-14/h1-6,14H,7-8H2
InChI Key:
LGFQTQCRIDYSOW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(s1)C1OCCO1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.036g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.304g/mol
Monoisotopic Mass:
305.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.