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864070-18-8 | 4-[(5-Bromo-2-chlorophenyl)methyl]phenol
CAS No: 864070-18-8 Catalog No: AG0036E3 MDL No:MFCD19441145
Product Description
Catalog Number:
AG0036E3
Chemical Name:
4-[(5-Bromo-2-chlorophenyl)methyl]phenol
CAS Number:
864070-18-8
Molecular Formula:
C13H10BrClO
Molecular Weight:
297.5749
MDL Number:
MFCD19441145
IUPAC Name:
4-[(5-bromo-2-chlorophenyl)methyl]phenol
InChI:
InChI=1S/C13H10BrClO/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h1-6,8,16H,7H2
InChI Key:
CSQCYSDEAYXXTN-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Cc1cc(Br)ccc1Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.96g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.576g/mol
Monoisotopic Mass:
295.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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