1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro-

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Basic information

CAS: 21038-17-5
Standard SMILES: NC(=O)N1Cc2ccc(Cl)cc2CO1
InChIKey: OXMIHLGHUYDMCT-UHFFFAOYSA-N
Molecular formula: C9H9ClN2O2
Average molar mass: 212.63 g/mol
Monoisotopic mass: 212.0352552

Names & identifiers

Preferred name: 1H-2,3-Benzoxazine, 3,4-dihydro-3-carbamoyl-7-chloro-
IUPAC: 7-chloro-1,4-dihydro-2,3-benzoxazine-3-carboxamide
English name: 7-Chloro-3,4-dihydro-1H-2,3-benzoxazine-3-carboxamide
Molecular formula: C9H9ClN2O2
Molecular weight: 212.63

Names & synonyms

21038-17-5BRN 11162213-Carbamoyl-7-chloro-3,4-dihydro-1H-2,3-benzoxazine1H-2,3-BENZOXAZINE, 3,4-DIHYDRO-3-CARBAMOYL-7-CHLORO-DTXSID601752481H-2,3-Benzoxazine, 3-carbamoyl-7-chloro-3,4-dihydro-RefChem:237271DTXCID10977397-chloro-1,4-dihydro-3H-2,3-benzoxazine-3-carboxamide7-Chloro-1H-2,3-benzoxazine-3(4H)-carboxamide7-Chloro-3,4-dihydro-1H-2,3-benzoxazine-3-carboxamide3H-2,3-Benzoxazine-3-carboxamide, 7-chloro-1,4-dihydro-

Database identifiers

CAS: 21038-17-5
PubChem CID: 30456
DTXSID: DTXSID60175248
Nikkaji: J41.928A

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 55.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 237

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Compound notes

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