Home Halogens 3-chloro-4-(1H-indazol-1-yl)benzoic acid

3-chloro-4-(1H-indazol-1-yl)benzoic acid

CAS No.:
1283004-89-6
Catalog Number:
AG01BDDY
Molecular Formula:
C14H9ClN2O2
Molecular Weight:
272.6865
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Product Description
Catalog Number:
AG01BDDY
Chemical Name:
3-chloro-4-(1H-indazol-1-yl)benzoic acid
CAS Number:
1283004-89-6
Molecular Formula:
C14H9ClN2O2
Molecular Weight:
272.6865
MDL Number:
MFCD18063889
IUPAC Name:
3-chloro-4-indazol-1-ylbenzoic acid
InChI:
InChI=1S/C14H9ClN2O2/c15-11-7-9(14(18)19)5-6-13(11)17-12-4-2-1-3-10(12)8-16-17/h1-8H,(H,18,19)
InChI Key:
MSXRSIRGMZHOQW-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1n1ncc2c1cccc2)C(=O)O
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.035g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
272.688g/mol
Monoisotopic Mass:
272.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties