methyl 3-bromoquinoline-8-carboxylate

methyl 3-bromoquinoline-8-carboxylate

CAS: 1823896-96-3

Formula: C11H8BrNO2

SMILES: COC(=O)C1=CC=CC2=CC(Br)=CN=C12

IUPAC: methyl 3-bromoquinoline-8-carboxylate

InChI: InChI=1S/C11H8BrNO2/c1-15-11(14)9-4-2-3-7-5-8(12)6-13-10(7)9/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	PZHVPZTVAAZWDM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.63
Topological Polar Surface Area	39.19
Polarizability	24.11
Ring Count	2
Rotatable Bond Count	2

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