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Home > Nitro Compounds > 64402-68-2
64402-68-2 | 2-(4-Nitro-phenyl)-2,3-dihydro-benzo[e][1,3]-oxazin-4-one
CAS No: 64402-68-2 Catalog No: AG01EWRW MDL No:
Product Description
Catalog Number:
AG01EWRW
Chemical Name:
2-(4-Nitro-phenyl)-2,3-dihydro-benzo[e][1,3]-oxazin-4-one
CAS Number:
64402-68-2
Molecular Formula:
C14H10N2O4
Molecular Weight:
270.2402
IUPAC Name:
2-(4-nitrophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
InChI:
InChI=1S/C14H10N2O4/c17-13-11-3-1-2-4-12(11)20-14(15-13)9-5-7-10(8-6-9)16(18)19/h1-8,14H,(H,15,17)
InChI Key:
APHJUBHNFUYGHT-UHFFFAOYSA-N
SMILES:
O=C1NC(Oc2c1cccc2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.244g/mol
Monoisotopic Mass:
270.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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