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1803591-23-2 | 4-[(4-fluorophenyl)methyl]oxan-4-amine hydrochloride
CAS No: 1803591-23-2 Catalog No: AG01ALPE MDL No:MFCD28954438
Product Description
Catalog Number:
AG01ALPE
Chemical Name:
4-[(4-fluorophenyl)methyl]oxan-4-amine hydrochloride
CAS Number:
1803591-23-2
Molecular Formula:
C12H17ClFNO
Molecular Weight:
245.7209
MDL Number:
MFCD28954438
IUPAC Name:
4-[(4-fluorophenyl)methyl]oxan-4-amine;hydrochloride
InChI:
InChI=1S/C12H16FNO.ClH/c13-11-3-1-10(2-4-11)9-12(14)5-7-15-8-6-12;/h1-4H,5-9,14H2;1H
InChI Key:
DMTBELRLOPOUJD-UHFFFAOYSA-N
SMILES:
NC1(CCOCC1)Cc1ccc(cc1)F.Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.722g/mol
Monoisotopic Mass:
245.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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