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120077-68-1 | Benzenemethanol, 4-bromo-3-chloro-
CAS No: 120077-68-1 Catalog No: AG000Q8K MDL No:MFCD08059111
Product Description
Catalog Number:
AG000Q8K
Chemical Name:
Benzenemethanol, 4-bromo-3-chloro-
CAS Number:
120077-68-1
Molecular Formula:
C7H6BrClO
Molecular Weight:
221.4789
MDL Number:
MFCD08059111
IUPAC Name:
(4-bromo-3-chlorophenyl)methanol
InChI:
InChI=1S/C7H6BrClO/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChI Key:
QXKNNVRGECWRKK-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)Cl)Br
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.929g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.478g/mol
Monoisotopic Mass:
219.929g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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