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116061-06-4 | Phenol, 2,6-bis(bromomethyl)-3-methyl-
CAS No: 116061-06-4 Catalog No: AG000BIL MDL No:
Product Description
Catalog Number:
AG000BIL
Chemical Name:
Phenol, 2,6-bis(bromomethyl)-3-methyl-
CAS Number:
116061-06-4
Molecular Formula:
C9H10Br2O
Molecular Weight:
293.9831
IUPAC Name:
2,6-bis(bromomethyl)-3-methylphenol
InChI:
InChI=1S/C9H10Br2O/c1-6-2-3-7(4-10)9(12)8(6)5-11/h2-3,12H,4-5H2,1H3
InChI Key:
ISNCRQDYTNRGQZ-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1O)CBr)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.908g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.986g/mol
Monoisotopic Mass:
291.91g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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