Home Other Building Blocks 2-CHLORO-5-[1,2,4]TRIAZOL-4-YL-BENZOIC ACID

2-CHLORO-5-[1,2,4]TRIAZOL-4-YL-BENZOIC ACID

CAS No.:
842977-25-7
Catalog Number:
AG00G31Y
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00G31Y
Chemical Name:
2-CHLORO-5-[1,2,4]TRIAZOL-4-YL-BENZOIC ACID
CAS Number:
842977-25-7
MDL Number:
MFCD07186506
IUPAC Name:
2-chloro-5-(1,2,4-triazol-4-yl)benzoic acid
InChI:
InChI=1S/C9H6ClN3O2/c10-8-2-1-6(3-7(8)9(14)15)13-4-11-12-5-13/h1-5H,(H,14,15)
InChI Key:
MYPYOBGBVHWJOE-UHFFFAOYSA-N
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.015g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.616g/mol
Monoisotopic Mass:
223.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties