Home Other Building Blocks 4-BROMO-2,3,6-TRIMETHYL-PHENOL

4-BROMO-2,3,6-TRIMETHYL-PHENOL

CAS No.:
51857-41-1
Catalog Number:
AG00DEJ2
Molecular Formula:
C9H11BrO
Molecular Weight:
215.0870
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Product Description
Catalog Number:
AG00DEJ2
Chemical Name:
4-BROMO-2,3,6-TRIMETHYL-PHENOL
CAS Number:
51857-41-1
Molecular Formula:
C9H11BrO
Molecular Weight:
215.0870
MDL Number:
MFCD00983556
IUPAC Name:
4-bromo-2,3,6-trimethylphenol
InChI:
InChI=1S/C9H11BrO/c1-5-4-8(10)6(2)7(3)9(5)11/h4,11H,1-3H3
InChI Key:
CNZUMQRUUPCHJR-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c(c(c1C)C)O
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.999g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.09g/mol
Monoisotopic Mass:
213.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties