USD $9.00-99.00 / Kilogram
USD $6.00-9.00 / Gram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $100.00-150.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $6.00-10.00 / Kilogram
identification and related records
【name】
benzeneacetaldehyde,4-bromo-a-oxo-
【iupac name】
2-(4-bromophenyl)-2-oxoacetaldehyde
【cas registry number】
5195-29-9
【synonyms】
glyoxal,(p-bromophenyl)- (6ci,7ci,8ci)
(p-bromophenyl)glyoxal
4-bromophenylglyoxal
nsc 32251
【molecular formula】
c8h5 br o2 (products with the same molecular formula)
【molecular weight】
213.03
【inchi】
inchi=1/c8h5bro2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-5h
【canonical smiles】
c1=cc(=cc=c1c(=o)c=o)br
【mol file】
5195-29-9.mol
chemical and physical properties
【density】
1.584g/cm3
【boiling point】
271.2°cat760mmhg
【refractive index】
1.57
【flash point】
105.9°c
【computed properties】
molecular weight:213.0281 [g/mol]
molecular formula:c8h5bro2
xlogp3:2.7
h-bond donor:0
h-bond acceptor:2
rotatable bond count:2
exact mass:211.947292
monoisotopic mass:211.947292
topological polar surface area:34.1
heavy atom count:11
formal charge:0
complexity:160
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:0
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:2
feature 3d hydrophobe count:1
feature 3d ring count:1
effective rotor count:2
conformer sampling rmsd:0.4
cid conformer count:6