4-(3-Chloropropyl)-6-methoxy-4H-benzo[1,4]oxazin-3-one

HCID 68891997
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Basic information

Standard SMILES
COc1ccc2c(c1)N(CCCCl)C(=O)CO2
InChIKey
IYOUUTJBJPADGD-UHFFFAOYSA-N
Molecular formula
C12H14ClNO3
Average molar mass
255.7 g/mol
Monoisotopic mass
255.066221

Names & identifiers

Preferred name
4-(3-Chloropropyl)-6-methoxy-4H-benzo[1,4]oxazin-3-one
IUPAC
4-(3-chloropropyl)-6-methoxy-1,4-benzoxazin-3-one

Names & synonyms

SCHEMBL4047656IYOUUTJBJPADGD-UHFFFAOYSA-N4-(3-Chloropropyl)-6-methoxy-4H-benzo[1,4]oxazin-3-one

Database identifiers

PubChem CID
68891997

Properties

Computed structural properties

XLogP
2
Topological polar surface area
38.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17

Related reactions

12 records
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Compound notes

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