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125903-81-3 | Benzenemethanol, 3-(difluoromethoxy)-
CAS No: 125903-81-3 Catalog No: AG000OXP MDL No:MFCD00236227
Product Description
Catalog Number:
AG000OXP
Chemical Name:
Benzenemethanol, 3-(difluoromethoxy)-
CAS Number:
125903-81-3
Molecular Formula:
C8H8F2O2
Molecular Weight:
174.1447
MDL Number:
MFCD00236227
IUPAC Name:
[3-(difluoromethoxy)phenyl]methanol
InChI:
InChI=1S/C8H8F2O2/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8,11H,5H2
InChI Key:
BBDUCPSYPRGPGO-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)OC(F)F
Properties
Complexity:
130
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:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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