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1421602-78-9 | Cyclohexanol, 4-amino-1-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1421602-78-9 Catalog No: AG001HV9 MDL No:MFCD22392178
Product Description
Catalog Number:
AG001HV9
Chemical Name:
Cyclohexanol, 4-amino-1-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1421602-78-9
Molecular Formula:
C7H13ClF3NO
Molecular Weight:
219.6324
MDL Number:
MFCD22392178
IUPAC Name:
4-amino-1-(trifluoromethyl)cyclohexan-1-ol;hydrochloride
InChI:
InChI=1S/C7H12F3NO.ClH/c8-7(9,10)6(12)3-1-5(11)2-4-6;/h5,12H,1-4,11H2;1H
InChI Key:
HYHNUWFMAWKRDR-UHFFFAOYSA-N
SMILES:
NC1CCC(CC1)(O)C(F)(F)F.Cl
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.632g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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