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82203-83-6 | Benzene, 1-methoxy-4-(3,3,3-trifluoro-1-propynyl)-
CAS No: 82203-83-6 Catalog No: AG0056FW MDL No:MFCD16616312
Product Description
Catalog Number:
AG0056FW
Chemical Name:
Benzene, 1-methoxy-4-(3,3,3-trifluoro-1-propynyl)-
CAS Number:
82203-83-6
Molecular Formula:
C10H7F3O
Molecular Weight:
200.1572
MDL Number:
MFCD16616312
IUPAC Name:
1-methoxy-4-(3,3,3-trifluoroprop-1-ynyl)benzene
InChI:
InChI=1S/C10H7F3O/c1-14-9-4-2-8(3-5-9)6-7-10(11,12)13/h2-5H,1H3
InChI Key:
COAQVIICEASPPR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C#CC(F)(F)F
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.16g/mol
Monoisotopic Mass:
200.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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