Home Other Building Blocks 2-(1H-1,2,3-benzotriazol-5-yl)acetic acid

2-(1H-1,2,3-benzotriazol-5-yl)acetic acid

CAS No.:
491612-10-3
Catalog Number:
AG01E8ZE
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
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Product Description
Catalog Number:
AG01E8ZE
Chemical Name:
2-(1H-1,2,3-benzotriazol-5-yl)acetic acid
CAS Number:
491612-10-3
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD20483991
IUPAC Name:
2-(2H-benzotriazol-5-yl)acetic acid
InChI:
InChI=1S/C8H7N3O2/c12-8(13)4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,4H2,(H,12,13)(H,9,10,11)
InChI Key:
AORIVBNPDYSFES-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc2c(c1)nn[nH]2
Properties
Complexity:
210  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties