AG003CY9

1044924-69-7 | 1-(4-BROMOBENZYL)AZETIDINE

AG003CY9

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CAS Number	1044924-69-7
Catalog Number	AG003CY9(AGN-PC-0CBWEM)
Chemical Name	1-(4-BROMOBENZYL)AZETIDINE
IUPAC Name	1-[(4-bromophenyl)methyl]azetidine
InChI	InChI=1S/C10H12BrN/c11-10-4-2-9(3-5-10)8-12-6-1-7-12/h2-5H,1,6-8H2
InChI Key	JLVSQPNCKCZXBK-UHFFFAOYSA-N
MDL Number	MFCD11849016
Molecular Formula	C10H12BrN
Molecular Weight	226.1130
SMILES	BrC1=CC=C(CN2CCC2)C=C1
Synonyms	1-(4-Bromobenzyl)azetidine, 1044924-69-7, 1-(4-Bromobenzyl)-azetidine, SCHEMBL1241202, JLVSQPNCKCZXBK-UHFFFAOYSA-N, KS-00000DB6, 1-[(4-bromophenyl)methyl]azetidine, 4954AJ, MFCD11849016, ZINC96025003, AKOS024258134, AS-32329, SY026176, Z-3636, MFCD11849016 (97+%), A1-07917, C10H12BrN,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.117g/mol
Monoisotopic Mass	225.015g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	3.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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