200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 240799-82-0
240799-82-0 | N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-3-(methylsulfanyl)aniline
CAS No: 240799-82-0 Catalog No: AG00IMU5 MDL No:MFCD00127055
Product Description
Catalog Number:
AG00IMU5
Chemical Name:
N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-3-(methylsulfanyl)aniline
CAS Number:
240799-82-0
Molecular Formula:
C13H13N3O3S
Molecular Weight:
291.3256
MDL Number:
MFCD00127055
IUPAC Name:
N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-3-methylsulfanylaniline
InChI:
InChI=1S/C13H13N3O3S/c1-9-13(16(17)18)12(19-15-9)6-7-14-10-4-3-5-11(8-10)20-2/h3-8,14H,1-2H3/b7-6+
InChI Key:
VJWPFPWLTQYMPD-VOTSOKGWSA-N
SMILES:
CSc1cccc(c1)N/C=C/c1onc(c1[N+](=O)[O-])C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
291.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.325g/mol
Monoisotopic Mass:
291.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^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.