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Home > Nitro Compounds > 854163-25-0
854163-25-0 | 2-(2-nitrophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
CAS No: 854163-25-0 Catalog No: AG00JH2X MDL No:MFCD07658296
Product Description
Catalog Number:
AG00JH2X
Chemical Name:
2-(2-nitrophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
CAS Number:
854163-25-0
Molecular Formula:
C14H10N2O4
Molecular Weight:
270.2402
MDL Number:
MFCD07658296
IUPAC Name:
2-(2-nitrophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
InChI:
InChI=1S/C14H10N2O4/c17-13-10-6-2-4-8-12(10)20-14(15-13)9-5-1-3-7-11(9)16(18)19/h1-8,14H,(H,15,17)
InChI Key:
TVZXSLSWFREWHN-UHFFFAOYSA-N
SMILES:
O=C1NC(Oc2c1cccc2)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
395
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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