AG00BZHC

42933-07-3 | 2H-​Pyran-​5-​carboxylic acid, 3-​bromo-​2-​oxo-​, methyl ester

AG00BZHC

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CAS Number	42933-07-3
Catalog Number	AG00BZHC(AGN-PC-0JUUWL)
Chemical Name	2H-​Pyran-​5-​carboxylic acid, 3-​bromo-​2-​oxo-​, methyl ester
IUPAC Name	methyl 5-bromo-6-oxopyran-3-carboxylate
InChI	InChI=1S/C7H5BrO4/c1-11-6(9)4-2-5(8)7(10)12-3-4/h2-3H,1H3
InChI Key	CGWCMWNFFICVFC-UHFFFAOYSA-N
MDL Number	MFCD00463742
Molecular Formula	C7H5BrO4
Molecular Weight	233.0162
SMILES	C(=O)(OC)c1cc(Br)c(=O)oc1
Synonyms	methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate, 42933-07-3, methyl 5-bromo-6-oxopyran-3-carboxylate, methyl 3-bromo-2-oxopyran-5-carboxylate, AC1LE64B, SCHEMBL17829694, CTK4I6803, KS-00000GKZ, ZINC45768, DTXSID60350492, 5933AB, MFCD00463742, SBB054033, STK045500, AKOS005384569, DS-5185, MCULE-3261491467, AJ-09031, AK111325, ST034424, ZB001402, DB-011596, FT-0761723, ST24047805, A23434, AE-848/06181023, I14-1074, 2-Oxo-3-bromo-2H-pyran-5-carboxylic acid methyl ester, 5-Bromo-6-oxo-6H-pyran-3-carboxylic acid methyl ester, 2H-Pyran-5-carboxylic acid, 3-bromo-2-oxo-, methyl ester, 2H-Pyran-5-carboxylicacid, 3-bromo-2-oxo-, methyl ester, C7H5BrO4, CID680940, ZINC00045768, METHYL3-BROMO-2-OXO-2H-PYRAN-5-CARBOXYLATE,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.937g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.017g/mol
Monoisotopic Mass	231.937g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

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