3-bromoquinoline-2-carbaldehyde

3-bromoquinoline-2-carbaldehyde

CAS: 898559-24-5

Formula: C10H6BrNO

SMILES: BrC1=CC2=CC=CC=C2N=C1C=O

IUPAC: 3-bromoquinoline-2-carbaldehyde

InChI: InChI=1S/C10H6BrNO/c11-8-5-7-3-1-2-4-9(7)12-10(8)6-13/h1-6H

Composition: C (50.88%), H (2.56%), Br (33.85%), N (5.93%), O (6.78%)

Molar Mass: 236.068

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	234.963277
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PJFNHALOBWCFMD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.8
Topological Polar Surface Area	29.96
Polarizability	21.56
Ring Count	2
Rotatable Bond Count	1

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