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50823-87-5 | 4-Methoxy-3-(trifluoromethyl)benzaldehyde
CAS No: 50823-87-5 Catalog No: AG003LML MDL No:MFCD01091012
Product Description
Catalog Number:
AG003LML
Chemical Name:
4-Methoxy-3-(trifluoromethyl)benzaldehyde
CAS Number:
50823-87-5
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD01091012
IUPAC Name:
4-methoxy-3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H7F3O2/c1-14-8-3-2-6(5-13)4-7(8)9(10,11)12/h2-5H,1H3
InChI Key:
UMZQFCFPWAFMRL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(F)(F)F)C=O
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:
2.7
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