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137958-81-7 | Phenol, 2,6-bis(bromomethyl)-3-methyl-4-(1-methylethoxy)-
CAS No: 137958-81-7 Catalog No: AG0017QK MDL No:
Product Description
Catalog Number:
AG0017QK
Chemical Name:
Phenol, 2,6-bis(bromomethyl)-3-methyl-4-(1-methylethoxy)-
CAS Number:
137958-81-7
Molecular Formula:
C12H16Br2O2
Molecular Weight:
352.0622
IUPAC Name:
2,6-bis(bromomethyl)-3-methyl-4-propan-2-yloxyphenol
InChI:
InChI=1S/C12H16Br2O2/c1-7(2)16-11-4-9(5-13)12(15)10(6-14)8(11)3/h4,7,15H,5-6H2,1-3H3
InChI Key:
SDKIROAMYSKUMM-UHFFFAOYSA-N
SMILES:
BrCc1cc(OC(C)C)c(c(c1O)CBr)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.95g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.066g/mol
Monoisotopic Mass:
349.952g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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