200,000+ products from a single source!
sales@angenechem.com
88796-31-0 | 2-Propenal, 2-nitro-3-[(4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-
CAS No: 88796-31-0 Catalog No: AG004CTO MDL No:
Product Description
Catalog Number:
AG004CTO
Chemical Name:
2-Propenal, 2-nitro-3-[(4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-
CAS Number:
88796-31-0
Molecular Formula:
C11H12N2O3S
Molecular Weight:
252.2896
IUPAC Name:
2-nitro-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylamino)prop-2-enal
InChI:
InChI=1S/C11H12N2O3S/c14-7-9(13(15)16)6-12-11-5-8-3-1-2-4-10(8)17-11/h5-7,12H,1-4H2
InChI Key:
CNNOUZHFIMHSKA-UHFFFAOYSA-N
SMILES:
O=CC(=CNc1cc2c(s1)CCCC2)[N+](=O)[O-]
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.288g/mol
Monoisotopic Mass:
252.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.