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1260852-42-3 | 1-Pyrrolidinecarboxylic acid, 3,3-difluoro-4-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No: 1260852-42-3 Catalog No: AG000RGA MDL No:MFCD12755195
Product Description
Catalog Number:
AG000RGA
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3,3-difluoro-4-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
1260852-42-3
Molecular Formula:
C10H17F2NO3
Molecular Weight:
237.2437
MDL Number:
MFCD12755195
IUPAC Name:
tert-butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H17F2NO3/c1-9(2,3)16-8(15)13-4-7(5-14)10(11,12)6-13/h7,14H,4-6H2,1-3H3
InChI Key:
OEMRLSZFXVVDLS-UHFFFAOYSA-N
SMILES:
OCC1CN(CC1(F)F)C(=O)OC(C)(C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.118g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.247g/mol
Monoisotopic Mass:
237.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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