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Home > Nitro Compounds > 301194-53-6
301194-53-6 | 6,8-dimethyl-2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one
CAS No: 301194-53-6 Catalog No: AG00IUQL MDL No:MFCD01783131
Product Description
Catalog Number:
AG00IUQL
Chemical Name:
6,8-dimethyl-2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one
CAS Number:
301194-53-6
Molecular Formula:
C16H12N2O4
Molecular Weight:
296.2775
MDL Number:
MFCD01783131
IUPAC Name:
6,8-dimethyl-2-(3-nitrophenyl)-3,1-benzoxazin-4-one
InChI:
InChI=1S/C16H12N2O4/c1-9-6-10(2)14-13(7-9)16(19)22-15(17-14)11-4-3-5-12(8-11)18(20)21/h3-8H,1-2H3
InChI Key:
OENYNSFDFMJSRS-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)c(=O)oc(n2)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.282g/mol
Monoisotopic Mass:
296.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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