Home Halogens 5-(chloromethyl)-1-methyl-1H-1,2,3-benzotriazole

5-(chloromethyl)-1-methyl-1H-1,2,3-benzotriazole

CAS No.:
149440-48-2
Catalog Number:
AG019ZQY
Molecular Formula:
C8H8ClN3
Molecular Weight:
181.6222
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Product Description
Catalog Number:
AG019ZQY
Chemical Name:
5-(chloromethyl)-1-methyl-1H-1,2,3-benzotriazole
CAS Number:
149440-48-2
Molecular Formula:
C8H8ClN3
Molecular Weight:
181.6222
MDL Number:
MFCD22375311
IUPAC Name:
5-(chloromethyl)-1-methylbenzotriazole
InChI:
InChI=1S/C8H8ClN3/c1-12-8-3-2-6(5-9)4-7(8)10-11-12/h2-4H,5H2,1H3
InChI Key:
LKXUAZIEBAPBNR-UHFFFAOYSA-N
SMILES:
ClCc1ccc2c(c1)nnn2C
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.041g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.623g/mol
Monoisotopic Mass:
181.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties