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13659-24-0 | Phenol, 3-bromo-4-chloro-
CAS No: 13659-24-0 Catalog No: AG00124P MDL No:MFCD00070740
Product Description
Catalog Number:
AG00124P
Chemical Name:
Phenol, 3-bromo-4-chloro-
CAS Number:
13659-24-0
Molecular Formula:
C6H4BrClO
Molecular Weight:
207.4524
MDL Number:
MFCD00070740
IUPAC Name:
3-bromo-4-chlorophenol
InChI:
InChI=1S/C6H4BrClO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
InChI Key:
JLFFHIKASCUQRL-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)Br)Cl
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.913g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.451g/mol
Monoisotopic Mass:
205.913g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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