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116061-07-5 | Phenol, 2,6-bis(bromomethyl)-3-methyl-4-(1-methylethyl)-
CAS No: 116061-07-5 Catalog No: AG000BJQ MDL No:
Product Description
Catalog Number:
AG000BJQ
Chemical Name:
Phenol, 2,6-bis(bromomethyl)-3-methyl-4-(1-methylethyl)-
CAS Number:
116061-07-5
Molecular Formula:
C12H16Br2O
Molecular Weight:
336.0628
IUPAC Name:
2,6-bis(bromomethyl)-3-methyl-4-propan-2-ylphenol
InChI:
InChI=1S/C12H16Br2O/c1-7(2)10-4-9(5-13)12(15)11(6-14)8(10)3/h4,7,15H,5-6H2,1-3H3
InChI Key:
USPZVBGBMUEXBG-UHFFFAOYSA-N
SMILES:
BrCc1cc(C(C)C)c(c(c1O)CBr)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.955g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.067g/mol
Monoisotopic Mass:
333.957g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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