AG005BHP

80352-42-7 | 4-Bromophenylglyoxal hydrate

AG005BHP

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CAS Number	80352-42-7
Catalog Number	AG005BHP(AGN-PC-0JPB0B)
Chemical Name	4-Bromophenylglyoxal hydrate
IUPAC Name	2-(4-bromophenyl)-2-oxoacetaldehyde;hydrate
InChI	InChI=1S/C8H5BrO2.H2O/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-5H;1H2
InChI Key	IOONPDHKLYFDML-UHFFFAOYSA-N
MDL Number	MFCD09260478
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
SMILES	O=C(C1=CC=C(Br)C=C1)C=O.[H]O[H]
Synonyms	4-bromophenylglyoxal hydrate, 80352-42-7, 2-(4-bromophenyl)-2-oxoacetaldehyde hydrate, 859775-25-0, 4-Bromophenyl glyoxal hydrate, p-bromophenylglyoxal hydrate, C8H5BrO2.H2O, ZX-AT009019, ANW-51194, MFCD09260478, OR1594, AKOS015855152, AB49987, RP27923, RP27927, (4-Bromophenyl)(oxo)acetaldehyde hydrate, BC003636, BR-10006, CS-13003, AB0008747, ST2409326, TR-033252, 4CH-011503, S-2434, 352B427, ETHANE, 1-(4-BROMOPHENYL)-2,2-DIHYDROXY-, J-514835, 1-(4-bromophenyl)-2,2-dihydroxyethanone, AK-10006, 1-(4-bromophenyl)-2,2-dihydroxyethan-1-one,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.958g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.045g/mol
Monoisotopic Mass	229.958g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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

Lot Number