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5-methyl-2-nitro-4-(trifluoromethyl)aniline

5-methyl-2-nitro-4-(trifluoromethyl)aniline

CAS: 1813-24-7

Formula: C8H7F3N2O2

SMILES: CC1=CC(N)=C(C=C1C(F)(F)F)[N+]([O-])=O

IUPAC: 5-methyl-2-nitro-4-(trifluoromethyl)aniline

InChI: InChI=1S/C8H7F3N2O2/c1-4-2-6(12)7(13(14)15)3-5(4)8(9,10)11/h2-3H,12H2,1H3

Composition: C (43.65%), H (3.21%), F (25.89%), N (12.72%), O (14.53%)

Molar Mass: 220.151

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 220.045961962
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey APYSPMUZFXCMTP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.09
Topological Polar Surface Area 69.16
Polarizability 16.53
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1813-24-7 $157.55-$1,598.50$157.55$201.25$286.35$457.70$1,598.50
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