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18967-31-2 | 2-Propenoic acid, 2-methyl-, 2,3,4,5,6-pentabromophenyl ester
CAS No: 18967-31-2 Catalog No: AG002DUV MDL No:
Product Description
Catalog Number:
AG002DUV
Chemical Name:
2-Propenoic acid, 2-methyl-, 2,3,4,5,6-pentabromophenyl ester
CAS Number:
18967-31-2
Molecular Formula:
C10H5Br5O2
Molecular Weight:
556.6655
IUPAC Name:
(2,3,4,5,6-pentabromophenyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C10H5Br5O2/c1-3(2)10(16)17-9-7(14)5(12)4(11)6(13)8(9)15/h1H2,2H3
InChI Key:
OFZRSOGEOFHZKS-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)Oc1c(Br)c(Br)c(c(c1Br)Br)Br
EC Number:
242-705-8
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
555.617g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
556.668g/mol
Monoisotopic Mass:
551.621g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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