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4-tert-butyl-1H-imidazole-5-carboxylic acid hydrochloride

CAS No.:
1909336-81-7
Catalog Number:
AG01C4Q7
Molecular Formula:
C8H13ClN2O2
Molecular Weight:
204.6540
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Product Description
Catalog Number:
AG01C4Q7
Chemical Name:
4-tert-butyl-1H-imidazole-5-carboxylic acid hydrochloride
CAS Number:
1909336-81-7
Molecular Formula:
C8H13ClN2O2
Molecular Weight:
204.6540
MDL Number:
MFCD29906971
IUPAC Name:
5-tert-butyl-1H-imidazole-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C8H12N2O2.ClH/c1-8(2,3)6-5(7(11)12)9-4-10-6;/h4H,1-3H3,(H,9,10)(H,11,12);1H
InChI Key:
RTBRTBFMNRUPAK-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]cnc1C(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