Basic information
- CAS
63884-83-3- Standard SMILES
Cc1cc(OC(=O)N(CCCl)CCCl)cc(C)c1N=O- InChIKey
FZFLXPZCRIPDIE-UHFFFAOYSA-N- Molecular formula
- C13H16Cl2N2O3
- Average molar mass
- 319.18 g/mol
- Monoisotopic mass
- 318.0537978
Names & identifiers
- Preferred name
- Carbamic acid, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester
- IUPAC
- (3,5-dimethyl-4-nitrosophenyl) N,N-bis(2-chloroethyl)carbamate
- English name
- Bis(2-chloroethyl)carbamic acid 4-nitroso-3,5-xylyl ester
- Molecular formula
- C13H16Cl2N2O3
- Molecular weight
- 319.18
Names & synonyms
63884-83-3TL-1075CARBAMIC ACID, BIS(2-CHLOROETHYL)-, 4-NITROSO-3,5-XYLYL ESTERDTXSID80213419Carbamic acid, N,N-bis(2-chloroethyl)-, 3,5-dimethyl-4-nitrosophenyl esterNSC 72201RefChem:332316DTXCID30135910NSC72201BIS(2-CHLOROETHYL)CARBAMIC ACID 4-NITROSO-3,5-XYLYL ESTERNSC-72201DB-220209
Show more names
Carbamic acid, bis(2-chloroethyl)-, 3,5-dimethyl-4-nitrosophenyl ester (9CI)
3,5-Dimethyl-4-nitrosophenyl bis(2-chloroethyl)carbamate
Database identifiers
- CAS
63884-83-3- PubChem CID
- 44971
- DTXSID
DTXSID80213419- Nikkaji
- J67.525C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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