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

2-(1H-1,2,3-benzotriazol-1-yloxy)acetic acid

CAS No.:
639475-09-5
Catalog Number:
AG019NJV
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
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Product Description
Catalog Number:
AG019NJV
Chemical Name:
2-(1H-1,2,3-benzotriazol-1-yloxy)acetic acid
CAS Number:
639475-09-5
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
MDL Number:
MFCD06335053
IUPAC Name:
2-(benzotriazol-1-yloxy)acetic acid
InChI:
InChI=1S/C8H7N3O3/c12-8(13)5-14-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2,(H,12,13)
InChI Key:
PDUXROJIRWXTKQ-UHFFFAOYSA-N
SMILES:
OC(=O)COn1nnc2c1cccc2
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties