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2,3-dimethyl-4-nitroaniline

2,3-dimethyl-4-nitroaniline

CAS: 80879-86-3

Formula: C8H10N2O2

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

IUPAC: 2,3-dimethyl-4-nitroaniline

InChI: InChI=1S/C8H10N2O2/c1-5-6(2)8(10(11)12)4-3-7(5)9/h3-4H,9H2,1-2H3

Composition: C (57.82%), H (6.07%), N (16.86%), O (19.26%)

Molar Mass: 166.18

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 166.07422757
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XXIWYZBTCKMAMY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.16
Topological Polar Surface Area 69.16
Polarizability 16.88
Ring Count 1
Rotatable Bond Count 1

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