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Home Other Building Blocks 1-(Chloromethyl)-1H-benzotriazole

1-(Chloromethyl)-1H-benzotriazole

CAS No.:
54187-96-1
Catalog Number:
AG0032J1
Molecular Formula:
C7H6ClN3
Molecular Weight:
167.5956
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(T)
1 week
United States
$162
- +
25g
>98.0%(T)
1 week
United States
$400
- +
Product Description
Catalog Number:
AG0032J1
Chemical Name:
1-(Chloromethyl)-1H-benzotriazole
CAS Number:
54187-96-1
Molecular Formula:
C7H6ClN3
Molecular Weight:
167.5956
MDL Number:
MFCD00216649
IUPAC Name:
1-(chloromethyl)benzotriazole
InChI:
InChI=1S/C7H6ClN3/c8-5-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2
InChI Key:
VSEROABGEVRIRY-UHFFFAOYSA-N
SMILES:
ClCn1nnc2c1cccc2
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.596g/mol
Monoisotopic Mass:
167.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
1-Chloro-methyl-1H-1,2,3-benzotriazole. Acta crystallographica. Section E, Structure reports online 20101201
Lithiation of 1-chloromethylbenzotriazole: generation and elaboration of benzotriazolyloxiranes. The Journal of organic chemistry 20030124
Properties