6-Bromoquinoline-2-carboxaldehyde

CAT: 0926-YDA94891-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-YDA94891-01Size:250 mg

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CAS Number

98948-91-5

MDL Number

MFCD06824164

Smiles

C1=CC2=C (C=CC (=N2) C=O) C=C1Br

Molecular Formula

C10H6BrNO

Molecular Weight

236.06 g/mol

Controlled

Chemical Information

6-Bromoquinoline-2-carbaldehyde

CAS Number	98948-91-5
PubChem CID	18373140
IUPAC Name	6-bromoquinoline-2-carbaldehyde
Molecular Formula	C10H6BrNO
Molecular Weight	236.06
XLogP	2.8
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	197

SMILES

C1=CC2=C(C=CC(=N2)C=O)C=C1Br

InChI

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

InChIKey

VQOCWJMSBFLQKK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 98948-91-5

CID: 18373140

Formula: C10H6BrNO

MW: 236.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.06
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	234.96328
Monoisotopic Mass	234.96328
Topological Polar Surface Area	30 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	197
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
WXB15568	6-Bromoquinoline-3-carbaldehyde
GCC60690-01	6-bromoquinoline-8-carbaldehyde
FM153472-01	Methyl 6-bromoquinoline-2-carboxylate
ELB36920-01	7-bromoquinoline-2-carbaldehyde
ELB88625-01	8-bromoquinoline-2-carbaldehyde
FB16390-01	2-Bromoquinoline
ACA35839	5-Amino-6-bromoquinoline
FH54500-01	6- (Hydroxymethyl) pyridine-2-carboxaldehyde
RGB63221-01	8-Bromoquinoline-6-carboxylic acid
VYB41877-01	Methyl 6-bromoquinoline-3-carboxylate

Catalog	Name
OR80025-01	6-Bromoquinoline-2-carboxaldehyde
439534-01	7-Bromoquinoline-2-carboxaldehyde
OR3274-01	5-Bromoquinoline-8-carboxaldehyde
TRC-B686880-1G	6-Bromoquinoline
OR77789-01	6-Bromoquinoline-2-carbonitrile
OR1007178-01	2-Bromoquinoline-6-carbonitrile
OR79708-01	6-Bromoquinoline-2-carboxylic acid
OR94001-01	Methyl 6-bromoquinoline-2-carboxylate
sc-287749A	2-Amino-6-bromoquinoline hydrochloride
OR1061165-01	2-Bromoquinoline-6-carboxylic acid