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79538-27-5 | (2,6-Difluoro-4-methoxyphenyl)methanol
CAS No: 79538-27-5 Catalog No: AG0051DX MDL No:MFCD04115923
Product Description
Catalog Number:
AG0051DX
Chemical Name:
(2,6-Difluoro-4-methoxyphenyl)methanol
CAS Number:
79538-27-5
Molecular Formula:
C8H8F2O2
Molecular Weight:
174.1447
MDL Number:
MFCD04115923
IUPAC Name:
(2,6-difluoro-4-methoxyphenyl)methanol
InChI:
InChI=1S/C8H8F2O2/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-3,11H,4H2,1H3
InChI Key:
NQCOOQYMRMQAJT-UHFFFAOYSA-N
SMILES:
COc1cc(F)c(c(c1)F)CO
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.147g/mol
Monoisotopic Mass:
174.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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