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403-33-8 | Methyl 4-fluorobenzoate
CAS No: 403-33-8 Catalog No: AG003RVB MDL No:MFCD00017959
Product Description
Catalog Number:
AG003RVB
Chemical Name:
Methyl 4-fluorobenzoate
CAS Number:
403-33-8
Molecular Formula:
C8H7FO2
Molecular Weight:
154.1384
MDL Number:
MFCD00017959
IUPAC Name:
methyl 4-fluorobenzoate
InChI:
InChI=1S/C8H7FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI Key:
MSEBQGULDWDIRW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)F
EC Number:
206-956-7
NSC Number:
102770
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.14g/mol
Monoisotopic Mass:
154.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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