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4,5-diamino-2-chloro-N-cyclopropylbenzamide

4,5-diamino-2-chloro-N-cyclopropylbenzamide

CAS: 1398052-24-8

Formula: C10H12ClN3O

SMILES: NC1=CC(Cl)=C(C=C1N)C(=O)NC1CC1

IUPAC: 4,5-diamino-2-chloro-N-cyclopropylbenzamide

InChI: InChI=1S/C10H12ClN3O/c11-7-4-9(13)8(12)3-6(7)10(15)14-5-1-2-5/h3-5H,1-2,12-13H2,(H,14,15)

Composition: C (53.22%), H (5.36%), Cl (15.71%), N (18.62%), O (7.09%)

Molar Mass: 225.68

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 225.0668897
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey RXNHWKIJPMLMHS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.45
Topological Polar Surface Area 81.14
Polarizability 22.16
Ring Count 2
Rotatable Bond Count 2

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