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1135283-86-1 | Benzenemethanol, 3-bromo-4-[(3,5-dimethylphenyl)methoxy]-
CAS No: 1135283-86-1 Catalog No: AG0008WW MDL No:MFCD11841061
Product Description
Catalog Number:
AG0008WW
Chemical Name:
Benzenemethanol, 3-bromo-4-[(3,5-dimethylphenyl)methoxy]-
CAS Number:
1135283-86-1
Molecular Formula:
C16H17BrO2
Molecular Weight:
321.2090
MDL Number:
MFCD11841061
IUPAC Name:
[3-bromo-4-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
InChI:
InChI=1S/C16H17BrO2/c1-11-5-12(2)7-14(6-11)10-19-16-4-3-13(9-18)8-15(16)17/h3-8,18H,9-10H2,1-2H3
InChI Key:
WNNCOLMJGGPEQW-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)Br)OCc1cc(C)cc(c1)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.214g/mol
Monoisotopic Mass:
320.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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