Home Other Building Blocks 2-METHYL-5-(TRIFLUOROMETHYL)BENZALDEHYDE

2-METHYL-5-(TRIFLUOROMETHYL)BENZALDEHYDE

CAS No.:
886498-85-7
Catalog Number:
AG003B95
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
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Product Description
Catalog Number:
AG003B95
Chemical Name:
2-METHYL-5-(TRIFLUOROMETHYL)BENZALDEHYDE
CAS Number:
886498-85-7
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
MDL Number:
MFCD06660200
IUPAC Name:
2-methyl-5-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H7F3O/c1-6-2-3-8(9(10,11)12)4-7(6)5-13/h2-5H,1H3
InChI Key:
XFIZZVVBLXLTOD-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1C)C(F)(F)F
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.149g/mol
Monoisotopic Mass:
188.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties