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Home Halogens 3-(chloromethyl)-5-methyl-4-propyl-4H-1,2,4-triazole hydrochloride

3-(chloromethyl)-5-methyl-4-propyl-4H-1,2,4-triazole hydrochloride

CAS No.:
1423033-65-1
Catalog Number:
AG01A3GB
Molecular Formula:
C7H13Cl2N3
Molecular Weight:
210.1042
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Product Description
Catalog Number:
AG01A3GB
Chemical Name:
3-(chloromethyl)-5-methyl-4-propyl-4H-1,2,4-triazole hydrochloride
CAS Number:
1423033-65-1
Molecular Formula:
C7H13Cl2N3
Molecular Weight:
210.1042
MDL Number:
MFCD22741273
IUPAC Name:
3-(chloromethyl)-5-methyl-4-propyl-1,2,4-triazole;hydrochloride
InChI:
InChI=1S/C7H12ClN3.ClH/c1-3-4-11-6(2)9-10-7(11)5-8;/h3-5H2,1-2H3;1H
InChI Key:
XFALOFIYLMISQH-UHFFFAOYSA-N
SMILES:
CCCn1c(C)nnc1CCl.Cl
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.049g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.102g/mol
Monoisotopic Mass:
209.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties