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Phosphonic diamide, ethyl-, cyclic 4-chloro-o-phenylene ester

HCID 97294
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Basic information

CAS
73790-34-8
Standard SMILES
CCP1(=O)Nc2ccc(Cl)cc2N1
InChIKey
FPWAAIHUIVORGP-UHFFFAOYSA-N
Molecular formula
C8H10ClN2OP
Average molar mass
216.6 g/mol
Monoisotopic mass
216.0219276

Names & identifiers

Preferred name
Phosphonic diamide, ethyl-, cyclic 4-chloro-o-phenylene ester
IUPAC
5-chloro-2-ethyl-1,3-dihydro-1,3,2λ5-benzodiazaphosphole 2-oxide

Names & synonyms

73790-34-8Phosphonic diamide, ethyl-, cyclic 4-chloro-o-phenylene esterRefChem:1095202Ethylphosphonic diamide cyclic 4-chloro-o-phenylene esterNSC 1131155-Chloro-2,3-dihydro-2-ethyl-1H-1,3,2-benzodiazophosphole-2-oxide1H-1,3,2-Benzodiazaphosphole, 5-chloro-2-ethyl-2,3-dihydro-, 2-oxideNSC113115NSC-1131155-Chloro-2,3,2-benzodiazophosphole-2-oxidePhosphonic diamide, cyclic 4-chloro-o-phenylene ester1H-1,2-Benzodiazaphosphole, 5-chloro-2-ethyl-2,3-dihydro-, 2-oxide

Database identifiers

CAS
73790-34-8
PubChem CID
97294
Nikkaji
J92.130K

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
41.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
248

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Compound notes

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