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Home > Nitro Compounds > 823801-95-2
823801-95-2 | 4H-1,4-Benzothiazine, 4-acetyl-2-(4-nitrophenyl)-
CAS No: 823801-95-2 Catalog No: AG00539B MDL No:
Product Description
Catalog Number:
AG00539B
Chemical Name:
4H-1,4-Benzothiazine, 4-acetyl-2-(4-nitrophenyl)-
CAS Number:
823801-95-2
Molecular Formula:
C16H12N2O3S
Molecular Weight:
312.3431
IUPAC Name:
1-[2-(4-nitrophenyl)-1,4-benzothiazin-4-yl]ethanone
InChI:
InChI=1S/C16H12N2O3S/c1-11(19)17-10-16(22-15-5-3-2-4-14(15)17)12-6-8-13(9-7-12)18(20)21/h2-10H,1H3
InChI Key:
YTOQQYBRKSPTPM-UHFFFAOYSA-N
SMILES:
CC(=O)N1C=C(Sc2c1cccc2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.057g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.343g/mol
Monoisotopic Mass:
312.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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