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4-chloro-5-nitrobenzene-1,2-diamine

4-chloro-5-nitrobenzene-1,2-diamine

CAS: 67073-39-6

Formula: C6H6ClN3O2

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

IUPAC: 4-chloro-5-nitrobenzene-1,2-diamine

InChI: InChI=1S/C6H6ClN3O2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H,8-9H2

Composition: C (38.42%), H (3.22%), Cl (18.90%), N (22.40%), O (17.06%)

Molar Mass: 187.58

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 187.0148541
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey LOQLMWFVXRZASN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.58
Topological Polar Surface Area 95.18
Polarizability 16.5
Ring Count 1
Rotatable Bond Count 1

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