AG00H170

939759-25-8 | 1-Azetidinecarboxylic acid, 3-bromo-, phenylmethyl ester

AG00H170

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CAS Number	939759-25-8
Catalog Number	AG00H170(AGN-PC-0W3M45)
Chemical Name	1-Azetidinecarboxylic acid, 3-bromo-, phenylmethyl ester
IUPAC Name	benzyl 3-bromoazetidine-1-carboxylate
InChI	InChI=1S/C11H12BrNO2/c12-10-6-13(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChI Key	SUBBMOROFINEHA-UHFFFAOYSA-N
MDL Number	MFCD09026509
Molecular Formula	C11H12BrNO2
Molecular Weight	270.1225
SMILES	BrC1CN(C1)C(=O)OCc1ccccc1
Synonyms	Benzyl 3-bromoazetidine-1-carboxylate, 939759-25-8, 3-BROMO-1-AZETIDINECARBOXYLIC ACID BENZYL ESTER, 1-cbz-3-bromoazetidine, 1-Azetidinecarboxylic acid, 3-bromo-, phenylmethyl ester, 3-Bromo-azetidine-1-carboxylic acid benzyl ester, CTK8B5673, DTXSID40585720, ANW-49551, MFCD09026509, ZINC19795773, Benzyl 3-bromo-1-azetidinecarboxylate, AKOS015839348, FCH1738291, SB10268, KS-0000035C, AJ-74990, AK-72904, AN-26236, AS-33517, BR-72904, OR317303, AX8037553, ST2419138, TR-029371, CS-0049844, W9644, S-7248, 759B258, I14-16713, C11H12BrNO2, Benzyl3-bromoazetidine-1-carboxylate,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.005g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	270.126g/mol
Monoisotopic Mass	269.005g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

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