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89453-17-8 | Phenol, dibromo-4-(1-methylpropyl)-
CAS No: 89453-17-8 Catalog No: AG0042N2 MDL No:
Product Description
Catalog Number:
AG0042N2
Chemical Name:
Phenol, dibromo-4-(1-methylpropyl)-
CAS Number:
89453-17-8
Molecular Formula:
C10H12Br2O
Molecular Weight:
308.0097
IUPAC Name:
2,3-dibromo-4-butan-2-ylphenol
InChI:
InChI=1S/C10H12Br2O/c1-3-6(2)7-4-5-8(13)10(12)9(7)11/h4-6,13H,3H2,1-2H3
InChI Key:
ZUKRXQRKYKBNHF-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1Br)Br)O)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.923g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.013g/mol
Monoisotopic Mass:
305.925g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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