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114460-74-1 | Carbonic acid, 3-bromo-2,2-bis(bromomethyl)propyl 2,4,6-tribromophenyl ester
CAS No: 114460-74-1 Catalog No: AG000EG1 MDL No:
Product Description
Catalog Number:
AG000EG1
Chemical Name:
Carbonic acid, 3-bromo-2,2-bis(bromomethyl)propyl 2,4,6-tribromophenyl ester
CAS Number:
114460-74-1
Molecular Formula:
C12H10Br6O3
Molecular Weight:
681.6300
IUPAC Name:
[2,4,6-tribromo-3-[3-bromo-2,2-bis(bromomethyl)propyl]phenyl] carbonate
InChI:
InChI=1S/C12H10Br6O3/c13-3-12(4-14,5-15)2-6-7(16)1-8(17)10(9(6)18)21-11(19)20/h1H,2-5H2,(H,19,20)/p-1
InChI Key:
LAOSISJVBCPDAI-UHFFFAOYSA-M
SMILES:
BrCC(COC(=O)Oc1c(Br)cc(cc1Br)Br)(CBr)CBr
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
680.559g/mol
Formal Charge:
-1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
680.625g/mol
Monoisotopic Mass:
674.565g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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