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590417-81-5 | Benzenemethanol, 3-fluoro-4-methoxy-alpha-methyl- (9CI)
CAS No: 590417-81-5 Catalog No: AG00ECMR MDL No:MFCD08442708
Product Description
Catalog Number:
AG00ECMR
Chemical Name:
Benzenemethanol, 3-fluoro-4-methoxy-alpha-methyl- (9CI)
CAS Number:
590417-81-5
Molecular Formula:
C9H11FO2
Molecular Weight:
170.1808
MDL Number:
MFCD08442708
IUPAC Name:
1-(3-fluoro-4-methoxyphenyl)ethanol
InChI:
InChI=1S/C9H11FO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6,11H,1-2H3
InChI Key:
ODTUZRZUBPCXPW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)C(O)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.183g/mol
Monoisotopic Mass:
170.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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