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900175-51-1 | Phenol, 4-fluoro-2-methyl-, carbonate (2:1)
CAS No: 900175-51-1 Catalog No: AG01FB49 MDL No:
Product Description
Catalog Number:
AG01FB49
Chemical Name:
Phenol, 4-fluoro-2-methyl-, carbonate (2:1)
CAS Number:
900175-51-1
Molecular Formula:
C15H16F2O5
Molecular Weight:
314.2813
IUPAC Name:
carbonic acid;4-fluoro-2-methylphenol
InChI:
InChI=1S/2C7H7FO.CH2O3/c2*1-5-4-6(8)2-3-7(5)9;2-1(3)4/h2*2-4,9H,1H3;(H2,2,3,4)
InChI Key:
PACFWGNXHVUZOR-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C)O.Fc1ccc(c(c1)C)O.OC(=O)O
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.097g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
314.285g/mol
Monoisotopic Mass:
314.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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