Ethanone,1-(6-bromo-1,3-benzodioxol-5-yl)-(CAS No. 71095-26-6) CAS NO.71095-26-6

Min.Order Quantity:: 1 Gram

Purity:: 99%

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Keywords

Ethanone,1-(6-bromo-1,3-benzodioxol-5-yl)-
71095-26-6
98%

Quick Details

ProName: Ethanone,1-(6-bromo-1,3-benzodioxol-5-...
CasNo: 71095-26-6
Molecular Formula: C9H7 Br O3
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

【name】
ethanone,1-(6-bromo-1,3-benzodioxol-5-yl)-
【iupac name】
1-(6-bromo-1,3-benzodioxol-5-yl)ethanone
【cas registry number】
71095-26-6
【synonyms】
ethanone,1-[6-bromo-1,3-benzodioxol-5-yl]- (9ci)
nsc 283807
【molecular formula】
c9h7 br o3 (products with the same molecular formula)
【molecular weight】
243.0541
【inchi】
inchi=1/c9h7bro3/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8/h2-3h,4h2,1h3
【canonical smiles】
cc(=o)c1=cc2=c(c=c1br)oco2
chemical and physical properties
【density】
1.638g/cm3
【boiling point】
350.3°cat760mmhg
【refractive index】
1.591
【flash point】
165.6°c
【computed properties】
molecular weight:243.05408 [g/mol]
molecular formula:c9h7bro3
xlogp3-aa:2.1
h-bond donor:0
h-bond acceptor:3
rotatable bond count:1
tautomer count:2
exact mass:241.957857
monoisotopic mass:241.957857
topological polar surface area:35.5
heavy atom count:13
formal charge:0
complexity:219
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:3
feature 3d hydrophobe count:1
feature 3d ring count:2
effective rotor count:1.6
conformer sampling rmsd:0.6
cid conformer count:2