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114519-94-7 | Carbonochloridic acid, 2,2,2-tribromo-1-chloroethyl ester
CAS No: 114519-94-7 Catalog No: AG000EMA MDL No:
Product Description
Catalog Number:
AG000EMA
Chemical Name:
Carbonochloridic acid, 2,2,2-tribromo-1-chloroethyl ester
CAS Number:
114519-94-7
Molecular Formula:
C3HBr3Cl2O2
Molecular Weight:
379.6568
IUPAC Name:
(2,2,2-tribromo-1-chloroethyl) carbonochloridate
InChI:
InChI=1S/C3HBr3Cl2O2/c4-3(5,6)1(7)10-2(8)9/h1H
InChI Key:
JLMCXQGPXVTCHI-UHFFFAOYSA-N
SMILES:
ClC(C(Br)(Br)Br)OC(=O)Cl
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.688g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.651g/mol
Monoisotopic Mass:
375.69g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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