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2-(3-amino-6-chloroquinolin-2-yl)propan-2-ol

2-(3-amino-6-chloroquinolin-2-yl)propan-2-ol

CAS: 916056-79-6

Formula: C12H13ClN2O

SMILES: CC(C)(O)C1=NC2=CC=C(Cl)C=C2C=C1N

IUPAC: 2-(3-amino-6-chloroquinolin-2-yl)propan-2-ol

InChI: InChI=1S/C12H13ClN2O/c1-12(2,16)11-9(14)6-7-5-8(13)3-4-10(7)15-11/h3-6,16H,14H2,1-2H3

Composition: C (60.89%), H (5.54%), Cl (14.98%), N (11.84%), O (6.76%)

Molar Mass: 236.7

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 236.0716407
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey GUHFUVLKYSQIOQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.99
Topological Polar Surface Area 59.14
Polarizability 26.08
Ring Count 2
Rotatable Bond Count 1

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