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Home > Other Heterocycles > 2044796-74-7
2044796-74-7 | {2-azabicyclo[2.1.1]hexan-1-yl}(phenyl)methanol hydrochloride
CAS No: 2044796-74-7 Catalog No: AG01BVA3 MDL No:MFCD30476325
Product Description
Catalog Number:
AG01BVA3
Chemical Name:
{2-azabicyclo[2.1.1]hexan-1-yl}(phenyl)methanol hydrochloride
CAS Number:
2044796-74-7
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
MDL Number:
MFCD30476325
IUPAC Name:
2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methanol;hydrochloride
InChI:
InChI=1S/C12H15NO.ClH/c14-11(10-4-2-1-3-5-10)12-6-9(7-12)8-13-12;/h1-5,9,11,13-14H,6-8H2;1H
InChI Key:
GSPCDXRFOGJSCI-UHFFFAOYSA-N
SMILES:
OC(C12NCC(C1)C2)c1ccccc1.Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.716g/mol
Monoisotopic Mass:
225.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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