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1288999-00-7 | Benzaldehyde, 2-amino-3-(trifluoromethyl)-
CAS No: 1288999-00-7 Catalog No: AG000YH6 MDL No:
Product Description
Catalog Number:
AG000YH6
Chemical Name:
Benzaldehyde, 2-amino-3-(trifluoromethyl)-
CAS Number:
1288999-00-7
Molecular Formula:
C8H6F3NO
Molecular Weight:
189.1345
IUPAC Name:
2-amino-3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-2-5(4-13)7(6)12/h1-4H,12H2
InChI Key:
UDZCBJNPRDYHQX-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1N)C(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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