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Home > Aldehydes > 1289209-47-7
1289209-47-7 | Benzaldehyde, 2-amino-6-(trifluoromethyl)-
CAS No: 1289209-47-7 Catalog No: AG000YJW MDL No:
Product Description
Catalog Number:
AG000YJW
Chemical Name:
Benzaldehyde, 2-amino-6-(trifluoromethyl)-
CAS Number:
1289209-47-7
Molecular Formula:
C8H6F3NO
Molecular Weight:
189.1345
IUPAC Name:
2-amino-6-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H6F3NO/c9-8(10,11)6-2-1-3-7(12)5(6)4-13/h1-4H,12H2
InChI Key:
JSHJUUMWQNKGFU-UHFFFAOYSA-N
SMILES:
O=Cc1c(N)cccc1C(F)(F)F
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.137g/mol
Monoisotopic Mass:
189.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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