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Home > Bromides > 1374658-83-9
1374658-83-9 | 1-Azetidinecarboxylic acid, 3-(bromomethyl)-3-fluoro-, 1,1-dimethylethyl ester
CAS No: 1374658-83-9 Catalog No: AG0013BH MDL No:MFCD23105996
Product Description
Catalog Number:
AG0013BH
Chemical Name:
1-Azetidinecarboxylic acid, 3-(bromomethyl)-3-fluoro-, 1,1-dimethylethyl ester
CAS Number:
1374658-83-9
Molecular Formula:
C9H15BrFNO2
Molecular Weight:
268.1233
MDL Number:
MFCD23105996
IUPAC Name:
tert-butyl 3-(bromomethyl)-3-fluoroazetidine-1-carboxylate
InChI:
InChI=1S/C9H15BrFNO2/c1-8(2,3)14-7(13)12-5-9(11,4-10)6-12/h4-6H2,1-3H3
InChI Key:
XBEPSYXHSSWJFY-UHFFFAOYSA-N
SMILES:
BrCC1(F)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.027g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.126g/mol
Monoisotopic Mass:
267.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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