Home Halogens 5-tert-butyl-2-chloropyridine-3-carboxylic acid

5-tert-butyl-2-chloropyridine-3-carboxylic acid

CAS No.:
1784306-92-8
Catalog Number:
AG01DYXU
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
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Product Description
Catalog Number:
AG01DYXU
Chemical Name:
5-tert-butyl-2-chloropyridine-3-carboxylic acid
CAS Number:
1784306-92-8
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
MDL Number:
MFCD31615885
IUPAC Name:
5-tert-butyl-2-chloropyridine-3-carboxylic acid
InChI:
InChI=1S/C10H12ClNO2/c1-10(2,3)6-4-7(9(13)14)8(11)12-5-6/h4-5H,1-3H3,(H,13,14)
InChI Key:
DNKUBVCBUCQSMY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cnc1Cl)C(C)(C)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.056g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.661g/mol
Monoisotopic Mass:
213.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties