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3-bromo-N-methyl-5-(trifluoromethyl)aniline

3-bromo-N-methyl-5-(trifluoromethyl)aniline

CAS: 1187929-44-7

Formula: C8H7BrF3N

SMILES: CNC1=CC(Br)=CC(=C1)C(F)(F)F

IUPAC: 3-bromo-N-methyl-5-(trifluoromethyl)aniline

InChI: InChI=1S/C8H7BrF3N/c1-13-7-3-5(8(10,11)12)2-6(9)4-7/h2-4,13H,1H3

Composition: C (37.82%), H (2.78%), Br (31.45%), F (22.43%), N (5.51%)

Molar Mass: 254.05

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 252.971397
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey WSMOGZRZCKKEOS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.85
Topological Polar Surface Area 12.03
Polarizability 17.59
Ring Count 1
Rotatable Bond Count 2

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97% <2 Days 1187929-44-7 $125.35-$1,370.80$125.35$143.75$171.35$228.85$342.70$1,370.80
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