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Carbamic acid, (2-chloroethyl)nitroso-, cyclohexyl ester

HCID 54590
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
80639-81-2
Standard SMILES
O=NN(CCCl)C(=O)OC1CCCCC1
InChIKey
HFVIUKSJYCGXRW-UHFFFAOYSA-N
Molecular formula
C9H15ClN2O3
Average molar mass
234.68 g/mol
Monoisotopic mass
234.07712

Names & identifiers

Preferred name
Carbamic acid, (2-chloroethyl)nitroso-, cyclohexyl ester
IUPAC
cyclohexyl N-(2-chloroethyl)-N-nitrosocarbamate
English name
N-(2-Chloroethyl)-N-nitroso-O-cyclohexylurethane
Molecular weight
0

Names & synonyms

80639-81-2CARBAMIC ACID, (2-CHLOROETHYL)NITROSO-, CYCLOHEXYL ESTER(2-Chloroethyl)nitrosocarbamic acid cyclohexyl esterN-(2-Chloroethyl)-N-nitroso-O-cyclohexylurethaneDTXSID80230449RefChem:331934DTXCID30152940Cyclohexyl (2-chloroethyl)(nitroso)carbamate

Database identifiers

CAS
80639-81-2
PubChem CID
54590
DTXSID
DTXSID80230449

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
59 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
219

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

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Compound notes

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