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5-chloro-2-(methylamino)benzonitrile

5-chloro-2-(methylamino)benzonitrile

CAS: 85702-70-1

Formula: C8H7ClN2

SMILES: CNC1=C(C=C(Cl)C=C1)C#N

IUPAC: 5-chloro-2-(methylamino)benzonitrile

InChI: InChI=1S/C8H7ClN2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,11H,1H3

Composition: C (57.67%), H (4.24%), Cl (21.28%), N (16.81%)

Molar Mass: 166.61

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 166.0297759
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey UFOXVUGKBFWWMB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.78
Topological Polar Surface Area 35.82
Polarizability 17
Ring Count 1
Rotatable Bond Count 1

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97% <5 Days 85702-70-1 $834.00-$2,420.00$834.00$1,480.00$2,420.00
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