sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 3-(1H-1,2,4-triazol-1-yl)benzoic acid hydrochloride

3-(1H-1,2,4-triazol-1-yl)benzoic acid hydrochloride

CAS No.:
1311317-30-2
Catalog Number:
AG01AIOA
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AIOA
Chemical Name:
3-(1H-1,2,4-triazol-1-yl)benzoic acid hydrochloride
CAS Number:
1311317-30-2
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
MDL Number:
MFCD18917351
IUPAC Name:
3-(1,2,4-triazol-1-yl)benzoic acid;hydrochloride
InChI:
InChI=1S/C9H7N3O2.ClH/c13-9(14)7-2-1-3-8(4-7)12-6-10-5-11-12;/h1-6H,(H,13,14);1H
InChI Key:
UUPRLQSAVKSCAK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)n1cncn1.Cl
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.031g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.632g/mol
Monoisotopic Mass:
225.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties