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2-tert-butyl-1H-imidazole-4-carboxylic acid hydrochloride

CAS No.:
775350-28-2
Catalog Number:
AG01E72U
Molecular Formula:
C8H13ClN2O2
Molecular Weight:
204.6540
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Product Description
Catalog Number:
AG01E72U
Chemical Name:
2-tert-butyl-1H-imidazole-4-carboxylic acid hydrochloride
CAS Number:
775350-28-2
Molecular Formula:
C8H13ClN2O2
Molecular Weight:
204.6540
IUPAC Name:
2-tert-butyl-1H-imidazole-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C8H12N2O2.ClH/c1-8(2,3)7-9-4-5(10-7)6(11)12;/h4H,1-3H3,(H,9,10)(H,11,12);1H
InChI Key:
SFCORKQMQFBOCQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c(n1)C(C)(C)C.Cl
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
204.654g/mol
Monoisotopic Mass:
204.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties