AG0071KB

4457-67-4 | 1-Bromo-4-methoxybutane

AG0071KB

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CAS Number	4457-67-4
Catalog Number	AG0071KB(AGN-PC-0JS9W1)
Chemical Name	1-Bromo-4-methoxybutane
IUPAC Name	1-bromo-4-methoxybutane
InChI	InChI=1S/C5H11BrO/c1-7-5-3-2-4-6/h2-5H2,1H3
InChI Key	ALOQTNHQNMYBDE-UHFFFAOYSA-N
MDL Number	MFCD00037102
Molecular Formula	C5H11BrO
Molecular Weight	167.0442
SMILES	COCCCCBr
Synonyms	1-Bromo-4-methoxybutane, 4457-67-4, Butane, 1-bromo-4-methoxy-, 1-Methoxy-4-bromobutane, 4-Bromobutyl methyl ether, Ether, 4-bromobutyl methyl, 4-Methoxybutyl bromide, ALOQTNHQNMYBDE-UHFFFAOYSA-N, 4-methoxybutylbromide, 1-bromo-4methoxybutane, ACMC-209jyl, 1-bromo-4-methoxy-butane, 4-bromo-1-methoxy-butane, AC1LAV80, Br(CH2)4OCH3, 1-bromanyl-4-methoxy-butane, KSC497O0N, SCHEMBL259495, .omega.-Bromobutyl methyl ether, CTK3J7706, DTXSID50334569, KS-000010HC, ZINC2384745, ANW-30139, MFCD00037102, AKOS009349485, GS-3277, RTR-017121, AJ-35103, AK-76407, BR-76407, CJ-08265, DA-05778, U269, AB0019178, ST2415258, TR-017121, 4CH-015975, B4495, FT-0650391, M-2882, 457B674, A826627, I14-6000, C5H11BrO, CID521168,

Complexity	31.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.999g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.046g/mol
Monoisotopic Mass	165.999g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number