200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1314603-15-0
1314603-15-0 | 2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one
CAS No: 1314603-15-0 Catalog No: AG00IX8C MDL No:MFCD00170720
Product Description
Catalog Number:
AG00IX8C
Chemical Name:
2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one
CAS Number:
1314603-15-0
Molecular Formula:
C16H10N2O4
Molecular Weight:
294.2616
MDL Number:
MFCD00170720
IUPAC Name:
2-[2-(3-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
InChI:
InChI=1S/C16H10N2O4/c19-16-13-6-1-2-7-14(13)17-15(22-16)9-8-11-4-3-5-12(10-11)18(20)21/h1-10H
InChI Key:
XBYFGHMONVRUBR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)/C=C/c1nc2ccccc2c(=O)o1
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.266g/mol
Monoisotopic Mass:
294.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.