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1306120-26-2 | 2-Pyrrolidinemethanol, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-
CAS No: 1306120-26-2 Catalog No: AG000UOX MDL No:MFCD13484412
Product Description
Catalog Number:
AG000UOX
Chemical Name:
2-Pyrrolidinemethanol, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-
CAS Number:
1306120-26-2
Molecular Formula:
C11H12ClF3N2O
Molecular Weight:
280.6740
MDL Number:
MFCD13484412
IUPAC Name:
[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-2-yl]methanol
InChI:
InChI=1S/C11H12ClF3N2O/c12-9-4-7(11(13,14)15)5-16-10(9)17-3-1-2-8(17)6-18/h4-5,8,18H,1-3,6H2
InChI Key:
RRWYJBWQTDFXFP-UHFFFAOYSA-N
SMILES:
OCC1CCCN1c1ncc(cc1Cl)C(F)(F)F
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.675g/mol
Monoisotopic Mass:
280.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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