USD $2.00-10.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $1.00-10.00 / Kilogram
【name】
2(3h)-benzoxazolone,6-bromo-5-chloro-
【iupac name】
6-bromo-5-chloro-3h-1,3-benzoxazol-2-one
【cas registry number】
5579-85-1
【synonyms】
2-benzoxazolinone,6-bromo-5-chloro- (6ci,7ci,8ci)
6-bromo-5-chloro-2-benzoxazolinone
bromchlorenone
nsc 24970
vinyzene
【einecs(ec#)】
226-967-0
【molecular formula】
c7h3 br cl n o2 (products with the same molecular formula)
【molecular weight】
248.47
【inchi】
inchi=1/c7h3brclno2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2h,(h,10,11)
【canonical smiles】
c1=c2c(=cc(=c1cl)br)oc(=o)n2
【mol file】
5579-85-1.mol
chemical and physical properties
【density】
1.907g/cm3
【boiling point】
°cat760mmhg
【refractive index】
1.639
【flash point】
°c
【computed properties】
molecular weight:248.46122 [g/mol]
molecular formula:c7h3brclno2
xlogp3-aa:2.5
h-bond donor:1
h-bond acceptor:2
rotatable bond count:0
tautomer count:2
exact mass:246.903569
monoisotopic mass:246.903569
topological polar surface area:38.3
heavy atom count:12
formal charge:0
complexity:214
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:1
feature 3d donor count:1
feature 3d hydrophobe count:1
feature 3d ring count:2
effective rotor count:0
conformer sampling rmsd:0.4
cid conformer count:1