methyl 2-(3-bromoquinolin-6-yl)acetate

methyl 2-(3-bromoquinolin-6-yl)acetate

CAS: 1022091-89-9

Formula: C12H10BrNO2

SMILES: COC(=O)CC1=CC2=CC(Br)=CN=C2C=C1

IUPAC: methyl 2-(3-bromoquinolin-6-yl)acetate

InChI: InChI=1S/C12H10BrNO2/c1-16-12(15)5-8-2-3-11-9(4-8)6-10(13)7-14-11/h2-4,6-7H,5H2,1H3

Composition: C (51.45%), H (3.60%), Br (28.52%), N (5.00%), O (11.42%)

Molar Mass: 280.121

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	278.989492
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YOLWDFNEQGOTLV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.68
Topological Polar Surface Area	39.19
Polarizability	25.96
Ring Count	2
Rotatable Bond Count	3

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