1-[4-Methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]-3-propan-2-ylurea

HCID 35562

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Basic information

CAS: 30863-32-2
Standard SMILES: Cc1nc(NC(=O)NC(C)C)nc(C(Cl)(Cl)Cl)n1
InChIKey: KVTLGMMNTKWCJH-UHFFFAOYSA-N
Molecular formula: C9H12Cl3N5O
Average molar mass: 312.6 g/mol
Monoisotopic mass: 311.010743

Names & identifiers

Preferred name: 1-[4-Methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]-3-propan-2-ylurea
IUPAC: 1-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]-3-propan-2-ylurea

Names & synonyms

1-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]-3-propan-2-ylurea30863-32-2DTXSID30275325N-[4-Methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]-N'-(propan-2-yl)urea

Database identifiers

CAS: 30863-32-2
PubChem CID: 35562
DTXSID: DTXSID30275325
Nikkaji: J1.615.212I

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 79.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 296

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