Basic information
- CAS
77944-96-8- Standard SMILES
O=C(NN(CCCl)CCCl)Oc1ccccc1- InChIKey
QAWDBMWQDJXZLR-UHFFFAOYSA-N- Molecular formula
- C11H14Cl2N2O2
- Average molar mass
- 277.14 g/mol
- Monoisotopic mass
- 276.0432331
Names & identifiers
- Preferred name
- Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester
- IUPAC
- phenyl N-[bis(2-chloroethyl)amino]carbamate
Names & synonyms
BRN 2279739CARBAZIC ACID, 3,3-BIS(2-CHLOROETHYL)-, PHENYL ESTERPhenyl 3,3-bis(2-chloroethyl)carbazate77944-96-8DTXSID60228607N(sup 2),N(sup 2)-Bis(2-chloraethyl)carbophenoxyhydrazid [German]N(sup 2),N(sup 2)-Bis(2-chloraethyl)carbophenoxyhydrazidRefChem:333209DTXCID70151098SCHEMBL1134865Phenyl 2,2-bis(2-chloroethyl)hydrazine-1-carboxylate
Database identifiers
- CAS
77944-96-8- PubChem CID
- 53844
- DTXSID
DTXSID60228607- Nikkaji
- J69.466E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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