AG003J5A

98021-79-5 | 4H-​Pyran-​4-​one, 3-​bromotetrahydro-

AG003J5A

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CAS Number	98021-79-5
Catalog Number	AG003J5A(AGN-PC-03ME10)
Chemical Name	4H-​Pyran-​4-​one, 3-​bromotetrahydro-
IUPAC Name	3-bromooxan-4-one
InChI	InChI=1S/C5H7BrO2/c6-4-3-8-2-1-5(4)7/h4H,1-3H2
InChI Key	ZGULSQDBOSMIBZ-UHFFFAOYSA-N
MDL Number	MFCD13193743
Molecular Formula	C5H7BrO2
Molecular Weight	179.0119
SMILES	BrC1C(=O)CCOC1
Synonyms	98021-79-5, 3-BROMODIHYDRO-2H-PYRAN-4(3H)-ONE, 3-Bromotetrahydropyran-4-one, 3-BROMOOXAN-4-ONE, 4H-Pyran-4-one, 3-bromotetrahydro-, MFCD13193743, 3-BROMOTETRAHYDRO-4H-PYRAN-4-ONE, ACMC-20a5hh, SCHEMBL198306, 3-bromo-tetrahydro-pyran-4-one, CTK3G8007, DTXSID10623582, ZGULSQDBOSMIBZ-UHFFFAOYSA-N, 4586AF, ANW-58035, RB3241, 3-BROMO-TETRAHYDROPYRAN-4-ONE, AKOS016002941, PB18064, TRA0101340, AS-54432, SC-33711, SY030109, TC-146780, CS-0039271, MFCD13193743 (95%), C-8745, C5H7BrO2,

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.963g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.013g/mol
Monoisotopic Mass	177.963g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 1760

Certificate of Analysis

Lot Number