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3-chloro-4-nitroaniline

3-chloro-4-nitroaniline

CAS: 825-41-2

Formula: C6H5ClN2O2

SMILES: NC1=CC(Cl)=C(C=C1)[N+]([O-])=O

IUPAC: 3-chloro-4-nitroaniline

InChI: InChI=1S/C6H5ClN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2

Composition: C (41.76%), H (2.92%), Cl (20.54%), N (16.23%), O (18.54%)

Molar Mass: 172.57

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 172.0039551
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LDSIOPGMLLPSSR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.88
Topological Polar Surface Area 69.16
Polarizability 15.34
Ring Count 1
Rotatable Bond Count 1

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