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1017778-98-1 | 2-METHOXY-6-(TRIFLUOROMETHYL)BENZALDEHYDE
CAS No: 1017778-98-1 Catalog No: AG0099X0 MDL No:MFCD09832324
Product Description
Catalog Number:
AG0099X0
Chemical Name:
2-METHOXY-6-(TRIFLUOROMETHYL)BENZALDEHYDE
CAS Number:
1017778-98-1
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD09832324
IUPAC Name:
2-methoxy-6-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H7F3O2/c1-14-8-4-2-3-7(6(8)5-13)9(10,11)12/h2-5H,1H3
InChI Key:
LLBTYKHVRXDHKF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C=O)C(F)(F)F
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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