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1260902-06-4 | 3-Pyrrolidinemethanol, 4-methyl-3-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1260902-06-4 Catalog No: AG000RL4 MDL No:
Product Description
Catalog Number:
AG000RL4
Chemical Name:
3-Pyrrolidinemethanol, 4-methyl-3-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1260902-06-4
Molecular Formula:
C7H13ClF3NO
Molecular Weight:
219.6324
IUPAC Name:
[4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride
InChI:
InChI=1S/C7H12F3NO.ClH/c1-5-2-11-3-6(5,4-12)7(8,9)10;/h5,11-12H,2-4H2,1H3;1H
InChI Key:
BVWPKDGGHZSZCZ-UHFFFAOYSA-N
SMILES:
OCC1(CNCC1C)C(F)(F)F.Cl
Properties
Complexity:
171
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:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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