AG0013BH

1374658-83-9 | 1-Azetidinecarboxylic acid, 3-(bromomethyl)-3-fluoro-, 1,1-dimethylethyl ester

AG0013BH

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CAS Number	1374658-83-9
Catalog Number	AG0013BH(AGN-PC-0WBRIL)
Chemical Name	1-Azetidinecarboxylic acid, 3-(bromomethyl)-3-fluoro-, 1,1-dimethylethyl ester
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
MDL Number	MFCD23105996
Molecular Formula	C9H15BrFNO2
Molecular Weight	268.1233
SMILES	O=C(N1CC(F)(CBr)C1)OC(C)(C)C
Synonyms	1374658-83-9, tert-butyl 3-(bromomethyl)-3-fluoroazetidine-1-carboxylate, 1-Boc-3-bromomethyl-3-fluoroazetidine, SCHEMBL20136928, KS-000007HW, MFCD23105996, ZINC95743515, AKOS025396147, FCH2311222, PB39181, SB20689, 1-Boc-3-(Bromomethyl)-3-fluoroazetidine, AK173741, AS-51789, CS-0048371, Q-4757, tert-Butyl 3-(bromomethyl)-3-fluoro-azetidine-1-carboxylate, 1-Azetidinecarboxylic acid, 3-(bromomethyl)-3-fluoro-, 1,1-dimethylethyl ester,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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