Home Carboxys 1-methyl-1H-1,2,3-benzotriazole-7-carboxylic acid

1-methyl-1H-1,2,3-benzotriazole-7-carboxylic acid

CAS No.:
1312556-57-2
Catalog Number:
AG01BD1X
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01BD1X
Chemical Name:
1-methyl-1H-1,2,3-benzotriazole-7-carboxylic acid
CAS Number:
1312556-57-2
MDL Number:
MFCD20642280
IUPAC Name:
3-methylbenzotriazole-4-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c1-11-7-5(8(12)13)3-2-4-6(7)9-10-11/h2-4H,1H3,(H,12,13)
InChI Key:
WTSDEEIKBRDWIN-UHFFFAOYSA-N
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties