Home Halogens 3-(chloromethyl)-1,2,4-benzotriazine

3-(chloromethyl)-1,2,4-benzotriazine

CAS No.:
1431931-52-0
Catalog Number:
AG01B80R
Molecular Formula:
C8H6ClN3
Molecular Weight:
179.6063
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Product Description
Catalog Number:
AG01B80R
Chemical Name:
3-(chloromethyl)-1,2,4-benzotriazine
CAS Number:
1431931-52-0
Molecular Formula:
C8H6ClN3
Molecular Weight:
179.6063
MDL Number:
MFCD28397364
IUPAC Name:
3-(chloromethyl)-1,2,4-benzotriazine
InChI:
InChI=1S/C8H6ClN3/c9-5-8-10-6-3-1-2-4-7(6)11-12-8/h1-4H,5H2
InChI Key:
YYXVIHJTRIXNQO-UHFFFAOYSA-N
SMILES:
ClCc1nnc2c(n1)cccc2
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.607g/mol
Monoisotopic Mass:
179.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties