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1170999-92-4 | 2-tert-butyl-6-chloropyridine-4-carboxylic acid
CAS No: 1170999-92-4 Catalog No: AG01A6GJ MDL No:MFCD13816619
Product Description
Catalog Number:
AG01A6GJ
Chemical Name:
2-tert-butyl-6-chloropyridine-4-carboxylic acid
CAS Number:
1170999-92-4
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
MDL Number:
MFCD13816619
IUPAC Name:
2-tert-butyl-6-chloropyridine-4-carboxylic acid
InChI:
InChI=1S/C10H12ClNO2/c1-10(2,3)7-4-6(9(13)14)5-8(11)12-7/h4-5H,1-3H3,(H,13,14)
InChI Key:
KFSUWIKTBQSUJX-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(n1)C(C)(C)C)C(=O)O
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
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