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Home > Nitro Compounds > 85160-83-4
85160-83-4 | 2,2-DIMETHYL-7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
CAS No: 85160-83-4 Catalog No: AG00G7II MDL No:MFCD11048438
Product Description
Catalog Number:
AG00G7II
Chemical Name:
2,2-DIMETHYL-7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
CAS Number:
85160-83-4
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD11048438
IUPAC Name:
2,2-dimethyl-7-nitro-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C10H10N2O4/c1-10(2)9(13)11-7-4-3-6(12(14)15)5-8(7)16-10/h3-5H,1-2H3,(H,11,13)
InChI Key:
KGWYDVZSGRHPFK-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccc(cc2OC1(C)C)[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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