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1H-2,3-Benzoxazine, 3,4-dihydro-3-methyl-6-nitro-

HCID 30884
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Basic information

CAS
21977-25-3
Standard SMILES
CN1Cc2cc([N+](=O)[O-])ccc2CO1
InChIKey
KAKXDVMMEINZJU-UHFFFAOYSA-N
Molecular formula
C9H10N2O3
Average molar mass
194.19 g/mol
Monoisotopic mass
194.06914219

Names & identifiers

Preferred name
1H-2,3-Benzoxazine, 3,4-dihydro-3-methyl-6-nitro-
IUPAC
3-methyl-6-nitro-1,4-dihydro-2,3-benzoxazine
English name
3,4-Dihydro-3-methyl-6-nitro-1H-2,3-benzoxazine
Molecular formula
C9H10N2O3
Molecular weight
194.19

Names & synonyms

1H-2,3-BENZOXAZINE, 3,4-DIHYDRO-3-METHYL-6-NITRO-BRN 111800921977-25-33-Methyl-6-nitro-3,4-dihydro-1H-2,3-benzoxazineDTXSID50176385RefChem:237273DTXCID70988763,4-Dihydro-3-methyl-6-nitro-1H-2,3-benzoxazine3-methyl-6-nitro-3,4-dihydro-1H-benzo[d][1,2]oxazine

Database identifiers

CAS
21977-25-3
PubChem CID
30884
DTXSID
DTXSID50176385
Nikkaji
J41.910I

Properties

Computed structural propertiesFilling in

XLogP
1.2
Topological polar surface area
58.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
14
Formal charge
0
Complexity
229

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