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Home > Aldehydes > 1176723-57-1
1176723-57-1 | 2-Nitro-5-(trifluoromethyl)benzaldehyde
CAS No: 1176723-57-1 Catalog No: AG00393I MDL No:MFCD13185768
Product Description
Catalog Number:
AG00393I
Chemical Name:
2-Nitro-5-(trifluoromethyl)benzaldehyde
CAS Number:
1176723-57-1
Molecular Formula:
C8H4F3NO3
Molecular Weight:
219.1175
MDL Number:
MFCD13185768
IUPAC Name:
2-nitro-5-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4F3NO3/c9-8(10,11)6-1-2-7(12(14)15)5(3-6)4-13/h1-4H
InChI Key:
GWFTUORCGNGELH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.119g/mol
Monoisotopic Mass:
219.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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