Home Other Building Blocks 3-(CHLOROMETHYL)-4-ETHYL-4H-1,2,4-TRIAZOLE HYDROCHLORIDE

3-(CHLOROMETHYL)-4-ETHYL-4H-1,2,4-TRIAZOLE HYDROCHLORIDE

CAS No.:
497851-80-6
Catalog Number:
AG01DWG7
Molecular Formula:
C5H9Cl2N3
Molecular Weight:
182.0511
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Product Description
Catalog Number:
AG01DWG7
Chemical Name:
3-(CHLOROMETHYL)-4-ETHYL-4H-1,2,4-TRIAZOLE HYDROCHLORIDE
CAS Number:
497851-80-6
Molecular Formula:
C5H9Cl2N3
Molecular Weight:
182.0511
MDL Number:
MFCD20637068
IUPAC Name:
3-(chloromethyl)-4-ethyl-1,2,4-triazole;hydrochloride
InChI:
InChI=1S/C5H8ClN3.ClH/c1-2-9-4-7-8-5(9)3-6;/h4H,2-3H2,1H3;1H
InChI Key:
CYYVJRCYLYNVEK-UHFFFAOYSA-N
SMILES:
ClCc1nncn1CC.Cl
Properties
Complexity:
88.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.017g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.048g/mol
Monoisotopic Mass:
181.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties