AG000BPM

116131-44-3 | 2H-Pyran, 3-(bromomethyl)tetrahydro-

AG000BPM

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CAS Number	116131-44-3
Catalog Number	AG000BPM(AGN-PC-03RAYU)
Chemical Name	2H-Pyran, 3-(bromomethyl)tetrahydro-
IUPAC Name	3-(bromomethyl)oxane
InChI	InChI=1S/C6H11BrO/c7-4-6-2-1-3-8-5-6/h6H,1-5H2
InChI Key	ZLUWLWXZMXLDGO-UHFFFAOYSA-N
MDL Number	MFCD08235012
Molecular Formula	C6H11BrO
Molecular Weight	179.0549
SMILES	BrCC1COCCC1
Synonyms	3-(BROMOMETHYL)TETRAHYDRO-2H-PYRAN, 116131-44-3, 3-(bromomethyl)oxane, 2H-Pyran,3-(bromomethyl)tetrahydro-, 2H-pyran, 3-(bromomethyl)tetrahydro-, (R)-3-(Bromomethyl)tetrahydro-2H-pyran, (S)-3-(Bromomethyl)tetrahydro-2H-pyran, 1616805-74-3, 1616805-79-8, ACMC-1C9HT, 3-bromomethyltetrahydropyran, SCHEMBL980407, CTK4A9636, DTXSID30626974, ZLUWLWXZMXLDGO-UHFFFAOYSA-N, ALBB-026433, CS-D0475, 2659AA, 3-(bromomethyl)-tetrahydro-2H-pyran, MFCD08235012, 2H-Pyran, 3-(bromomethyl)tetrahydro, AKOS009866010, PB14565, RP24019, KS-0000073T, AS-34511, SC-44714, DB-050755, 4CH-002734, AM20080110, FT-0660724, ST24041560, C-8231, F8889-0815, C6H11BrO,

Complexity	65.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.999g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.057g/mol
Monoisotopic Mass	177.999g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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