5-Nitro-4,6-bis(beta-chloroethyl)pyrimidine

HCID 21320077
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1c(CCCl)ncnc1CCCl
InChIKey
XZFDCPAKXOEKIU-UHFFFAOYSA-N
Molecular formula
C8H9Cl2N3O2
Average molar mass
250.08 g/mol

Names & identifiers

Preferred name
5-Nitro-4,6-bis(beta-chloroethyl)pyrimidine
IUPAC
4,6-bis(2-chloroethyl)-5-nitropyrimidine

Names & synonyms

SCHEMBL11278677XZFDCPAKXOEKIU-UHFFFAOYSA-N5-nitro-4,6-bis(beta-chloroethyl)pyrimidine

Database identifiers

PubChem CID
21320077

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
71.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

Related reactions

1 records
New reaction record

Linked notes

Loading…