Home Other Building Blocks 3-(2-tert-butyl-1H-1,3-benzodiazol-1-yl)propanoic acid hydrochloride

3-(2-tert-butyl-1H-1,3-benzodiazol-1-yl)propanoic acid hydrochloride

CAS No.:
1432679-62-3
Catalog Number:
AG01A4V5
Molecular Formula:
C14H19ClN2O2
Molecular Weight:
282.7659
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Product Description
Catalog Number:
AG01A4V5
Chemical Name:
3-(2-tert-butyl-1H-1,3-benzodiazol-1-yl)propanoic acid hydrochloride
CAS Number:
1432679-62-3
Molecular Formula:
C14H19ClN2O2
Molecular Weight:
282.7659
MDL Number:
MFCD24369142
IUPAC Name:
3-(2-tert-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C14H18N2O2.ClH/c1-14(2,3)13-15-10-6-4-5-7-11(10)16(13)9-8-12(17)18;/h4-7H,8-9H2,1-3H3,(H,17,18);1H
InChI Key:
GTYZSHQGYAMUGR-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1c2ccccc2nc1C(C)(C)C.Cl
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.114g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.768g/mol
Monoisotopic Mass:
282.114g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties