Home Other Building Blocks 3-(5-methyl-1H-1,2,4-triazol-3-yl)benzoic acid hydrochloride

3-(5-methyl-1H-1,2,4-triazol-3-yl)benzoic acid hydrochloride

CAS No.:
1375474-46-6
Catalog Number:
AG019TCH
Molecular Formula:
C10H10ClN3O2
Molecular Weight:
239.6583
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Product Description
Catalog Number:
AG019TCH
Chemical Name:
3-(5-methyl-1H-1,2,4-triazol-3-yl)benzoic acid hydrochloride
CAS Number:
1375474-46-6
Molecular Formula:
C10H10ClN3O2
Molecular Weight:
239.6583
MDL Number:
MFCD21602556
IUPAC Name:
3-(5-methyl-1H-1,2,4-triazol-3-yl)benzoic acid;hydrochloride
InChI:
InChI=1S/C10H9N3O2.ClH/c1-6-11-9(13-12-6)7-3-2-4-8(5-7)10(14)15;/h2-5H,1H3,(H,14,15)(H,11,12,13);1H
InChI Key:
UEOBCVMGCWHPAP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1n[nH]c(n1)C.Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
239.659g/mol
Monoisotopic Mass:
239.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties