AG003EV2

31608-22-7 | 2-(4-Bromobutoxy)tetrahydro-2H-pyran

AG003EV2

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CAS Number	31608-22-7
Catalog Number	AG003EV2(AGN-PC-094EVY)
Chemical Name	2-(4-Bromobutoxy)tetrahydro-2H-pyran
IUPAC Name	2-(4-bromobutoxy)oxane
InChI	InChI=1S/C9H17BrO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9H,1-8H2
InChI Key	DFXFQWZHKKEJDM-UHFFFAOYSA-N
MDL Number	MFCD06654117
Molecular Formula	C9H17BrO2
Molecular Weight	237.1341
SMILES	BrCCCCOC1CCCCO1
Synonyms	2-(4-Bromobutoxy)tetrahydro-2H-pyran, 31608-22-7, 2-(4-bromobutoxy)oxane, DFXFQWZHKKEJDM-UHFFFAOYSA-N, AK142254, 2-(4-Bromobutoxy)-tetrahydro-2H-pyran, AC1LBJGN, 2H-Pyran, 2-(4-bromobutoxy)tetrahydro-, ACMC-1ACPI, AC1Q27WR, SCHEMBL217068, CTK4G7430, KS-00000RVZ, 2-(4-Bromobutoxy)tetrahydropyran, DTXSID00339827, RD-09, 2-(4-Bromobutoxy)-tetrahydropyran, 1-Tetrahydropyranyloxy-4-bromobutane, 4-(tetrahydropyranyloxy)butyl bromide, ANW-27166, MFCD06654117, AKOS022174978, 2-(4-bromobutoxyl)tetrahydro-2H-pyran, DS-7507, 2H-Pyran,2-(4-bromobutoxy)tetrahydro-, ACM31608227, 4-(tetrahydropyran-2-yl)oxybutyl bromide, SY053040, 1-bromo-4-(tetrahydropyran-2-yloxy)butane, AX8282124, TC-115911, B3186, V5110, 2-(4-Bromobutoxy)tetrahydro-2H-pyran, 98%, MFCD06654117 (97%), K-7450, 4-Bromobutyl tetrahydro-2H-pyran-2-yl ether #, I14-57767, 2- tetrahydro-2H-pyran, C9H17BrO2, AR-1C7556, CID559019, 2-(4-Bromo-butoxy)-tetrahydro-pyran, 3181-38-2,

Complexity	109
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.041g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	237.137g/mol
Monoisotopic Mass	236.041g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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

Certificate of Analysis

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