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Home > Bromides > 1279894-15-3
1279894-15-3 | 1-Pyrrolidinecarboxylic acid, 2-(bromomethyl)-4,4-difluoro-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1279894-15-3 Catalog No: AG000XMY MDL No:MFCD12755206
Product Description
Catalog Number:
AG000XMY
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(bromomethyl)-4,4-difluoro-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1279894-15-3
Molecular Formula:
C10H16BrF2NO2
Molecular Weight:
300.1403
MDL Number:
MFCD12755206
IUPAC Name:
tert-butyl (2S)-2-(bromomethyl)-4,4-difluoropyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H16BrF2NO2/c1-9(2,3)16-8(15)14-6-10(12,13)4-7(14)5-11/h7H,4-6H2,1-3H3/t7-/m0/s1
InChI Key:
UXTHOEXKBYNHLE-ZETCQYMHSA-N
SMILES:
BrC[C@@H]1CC(CN1C(=O)OC(C)(C)C)(F)F
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
299.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.144g/mol
Monoisotopic Mass:
299.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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