methyl 6-bromoquinoline-2-carboxylate

methyl 6-bromoquinoline-2-carboxylate

CAS: 623583-88-0

Formula: C11H8BrNO2

SMILES: COC(=O)C1=NC2=CC=C(Br)C=C2C=C1

IUPAC: methyl 6-bromoquinoline-2-carboxylate

InChI: InChI=1S/C11H8BrNO2/c1-15-11(14)10-4-2-7-6-8(12)3-5-9(7)13-10/h2-6H,1H3

Composition: C (49.65%), H (3.03%), Br (30.03%), N (5.26%), O (12.03%)

Molar Mass: 266.094

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	264.973842
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SKSQECLLCVBRDD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.26
Topological Polar Surface Area	39.19
Polarizability	24.11
Ring Count	2
Rotatable Bond Count	2

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