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1226808-67-8 | Phenol, 6-bromo-2-chloro-3-methyl-
CAS No: 1226808-67-8 Catalog No: AG0017N4 MDL No:MFCD16295099
Product Description
Catalog Number:
AG0017N4
Chemical Name:
Phenol, 6-bromo-2-chloro-3-methyl-
CAS Number:
1226808-67-8
Molecular Formula:
C7H6BrClO
Molecular Weight:
221.4789
MDL Number:
MFCD16295099
IUPAC Name:
6-bromo-2-chloro-3-methylphenol
InChI:
InChI=1S/C7H6BrClO/c1-4-2-3-5(8)7(10)6(4)9/h2-3,10H,1H3
InChI Key:
CRIAEOOHQOVEDR-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1O)Cl)C
Properties
Complexity:
120
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:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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