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82941-06-8 | 2-Propenoic acid,2-methyl-, 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenylester
CAS No: 82941-06-8 Catalog No: AG004YZC MDL No:
Product Description
Catalog Number:
AG004YZC
Chemical Name:
2-Propenoic acid,2-methyl-, 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenylester
CAS Number:
82941-06-8
Molecular Formula:
C19H16Br4O3
Molecular Weight:
611.9445
IUPAC Name:
[2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate
InChI:
InChI=1S/C19H16Br4O3/c1-9(2)18(25)26-17-14(22)7-11(8-15(17)23)19(3,4)10-5-12(20)16(24)13(21)6-10/h5-8,24H,1H2,2-4H3
InChI Key:
JBGLUFHZMYDKGF-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)Oc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)O)(C)C
EC Number:
280-071-4
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
611.779g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
611.95g/mol
Monoisotopic Mass:
607.783g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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