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2,4-dibromo-6-chloro-3-methyl-phenol 5415-78-1 98%
【Name】
2,4-dibromo-6-chloro-3-methylphenol
【Iupac name】
2,4-dibromo-6-chloro-3-methylphenol
【CAS Registry number】
5415-78-1
【Synonyms】
2,4-dibromo-6-chloro-3-methylphenol
5415-78-1
NSC11252
AC1L5CMO
AC1Q3LJA
AR-1D3435
NSC-11252
【Molecular Formula】
C7H5Br2ClO (Products with the same molecular formula)
【Molecular Weight】
300.375
【Inchi】
InChI=1/C7H5Br2ClO/c1-3-4(8)2-5(10)7(11)6(3)9/h2,11H,1H3
【Canonical SMILES】
CC1=C(C=C(C(=C1Br)O)Cl)Br
【MOL File】
5415-78-1.mol
Chemical and Physical Properties
【Density】
2.023g/cm3
【Boiling Point】
274.7°C at 760 mmHg
【Refractive Index】
1.636
【Flash Point】
120°C
【Computed Properties】
Molecular Weight:300.375 [g/mol]
Molecular Formula:C7H5Br2ClO
XLogP3-AA:3.9
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:0
Tautomer Count:6
Exact Mass:299.837521
MonoIsotopic Mass:297.839568
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Formal Charge:0
Complexity:144
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 Donor Count:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1
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