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40405-72-9 | 4-(1-butyl-1h-imidazol-4-yl)phenol hydrochloride(1:1)
CAS No: 40405-72-9 Catalog No: AG00730B MDL No:
Product Description
Catalog Number:
AG00730B
Chemical Name:
4-(1-butyl-1h-imidazol-4-yl)phenol hydrochloride(1:1)
CAS Number:
40405-72-9
Molecular Formula:
C13H17ClN2O
Molecular Weight:
252.7399
IUPAC Name:
4-(1-butylimidazol-4-yl)phenol;hydrochloride
InChI:
InChI=1S/C13H16N2O.ClH/c1-2-3-8-15-9-13(14-10-15)11-4-6-12(16)7-5-11;/h4-7,9-10,16H,2-3,8H2,1H3;1H
InChI Key:
LEPFSCBOEUIILE-UHFFFAOYSA-N
SMILES:
CCCCn1cnc(c1)c1ccc(cc1)O.Cl
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.742g/mol
Monoisotopic Mass:
252.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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