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1283721-17-4 | 3-Pyrrolidinecarboxylic acid, 3-(trifluoromethyl)-, methyl ester, hydrochloride (1:1)
CAS No: 1283721-17-4 Catalog No: AG000Y10 MDL No:MFCD11848044
Product Description
Catalog Number:
AG000Y10
Chemical Name:
3-Pyrrolidinecarboxylic acid, 3-(trifluoromethyl)-, methyl ester, hydrochloride (1:1)
CAS Number:
1283721-17-4
Molecular Formula:
C7H11ClF3NO2
Molecular Weight:
233.6159
MDL Number:
MFCD11848044
IUPAC Name:
methyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C7H10F3NO2.ClH/c1-13-5(12)6(7(8,9)10)2-3-11-4-6;/h11H,2-4H2,1H3;1H
InChI Key:
VBMHFZJINCOCDH-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CNCC1)C(F)(F)F.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:
233.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.615g/mol
Monoisotopic Mass:
233.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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