200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 81946-53-4
81946-53-4 | 2H-1,4-Benzoxazine, 3-(methylthio)-7-nitro-
CAS No: 81946-53-4 Catalog No: AG004ZTT MDL No:
Product Description
Catalog Number:
AG004ZTT
Chemical Name:
2H-1,4-Benzoxazine, 3-(methylthio)-7-nitro-
CAS Number:
81946-53-4
Molecular Formula:
C9H8N2O3S
Molecular Weight:
224.2364
IUPAC Name:
3-methylsulfanyl-7-nitro-2H-1,4-benzoxazine
InChI:
InChI=1S/C9H8N2O3S/c1-15-9-5-14-8-4-6(11(12)13)2-3-7(8)10-9/h2-4H,5H2,1H3
InChI Key:
TVTYNKZCQFNQIG-UHFFFAOYSA-N
SMILES:
CSC1=Nc2c(OC1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.234g/mol
Monoisotopic Mass:
224.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.