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Home > Imidazoles > 863399-51-3
863399-51-3 | (4-tert-butyl-1H-imidazol-2-yl)methanol hydrochloride
CAS No: 863399-51-3 Catalog No: AG01EMG6 MDL No:MFCD31629142
Product Description
Catalog Number:
AG01EMG6
Chemical Name:
(4-tert-butyl-1H-imidazol-2-yl)methanol hydrochloride
CAS Number:
863399-51-3
Molecular Formula:
C8H15ClN2O
Molecular Weight:
190.6705
MDL Number:
MFCD31629142
IUPAC Name:
(5-tert-butyl-1H-imidazol-2-yl)methanol;hydrochloride
InChI:
InChI=1S/C8H14N2O.ClH/c1-8(2,3)6-4-9-7(5-11)10-6;/h4,11H,5H2,1-3H3,(H,9,10);1H
InChI Key:
XEQJRKVGZGSWQV-UHFFFAOYSA-N
SMILES:
OCc1[nH]cc(n1)C(C)(C)C.Cl
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
190.671g/mol
Monoisotopic Mass:
190.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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