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

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

CAS No.:
1099119-95-5
Catalog Number:
AG01EKE4
Molecular Formula:
C9H8N4O3
Molecular Weight:
220.1848
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Product Description
Catalog Number:
AG01EKE4
Chemical Name:
2-(1H-1,2,3-benzotriazol-5-ylformamido)acetic acid
CAS Number:
1099119-95-5
Molecular Formula:
C9H8N4O3
Molecular Weight:
220.1848
MDL Number:
MFCD11648323
IUPAC Name:
2-(2H-benzotriazole-5-carbonylamino)acetic acid
InChI:
InChI=1S/C9H8N4O3/c14-8(15)4-10-9(16)5-1-2-6-7(3-5)12-13-11-6/h1-3H,4H2,(H,10,16)(H,14,15)(H,11,12,13)
InChI Key:
AOPUSBUMZXRXRZ-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1ccc2c(c1)nn[nH]2
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.06g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
220.188g/mol
Monoisotopic Mass:
220.06g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties