1-chloro-6-methyl-5-nitroisoquinoline

1-chloro-6-methyl-5-nitroisoquinoline

CAS: 943606-84-6

Formula: C10H7ClN2O2

SMILES: CC1=C(C2=CC=NC(Cl)=C2C=C1)[N+]([O-])=O

IUPAC: 1-chloro-6-methyl-5-nitroisoquinoline

InChI: InChI=1S/C10H7ClN2O2/c1-6-2-3-8-7(9(6)13(14)15)4-5-12-10(8)11/h2-5H,1H3

Composition: C (53.95%), H (3.17%), Cl (15.92%), N (12.58%), O (14.37%)

Molar Mass: 222.63

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	222.0196052
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IWLPTUUERGDBAR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.58
Topological Polar Surface Area	56.03
Polarizability	22.51
Ring Count	2
Rotatable Bond Count	1

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