6-Bromoquinoline-3-carbaldehyde

CAT: 0926-WXB15568Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-WXB15568Size:2.5 g

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CAS Number

1196155-68-6

MDL Number

MFCD13190233

Smiles

C1=CC2=NC=C (C=C2C=C1Br) C=O

Molecular Formula

C10H6BrNO

Molecular Weight

236.06 g/mol

Controlled

Chemical Information

6-Bromoquinoline-3-carbaldehyde

CAS Number	1196155-68-6
PubChem CID	53465783
IUPAC Name	6-bromoquinoline-3-carbaldehyde
Molecular Formula	C10H6BrNO
Molecular Weight	236.06
XLogP	2.3
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=NC=C(C=C2C=C1Br)C=O

InChI

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

InChIKey

PCHCYMZZDAUVQB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1196155-68-6

CID: 53465783

Formula: C10H6BrNO

MW: 236.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.06
XLogP3	2.3
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
GCC60690-01	6-bromoquinoline-8-carbaldehyde
FB173183	3-bromoquinoline-7-carbaldehyde
VEB83024-01	7-bromoquinoline-3-carbaldehyde
YXC90519-01	7-Bromoquinoline-8-carbaldehyde
ELB36920-01	7-bromoquinoline-2-carbaldehyde
ELB88625-01	8-bromoquinoline-2-carbaldehyde
MCC13920-01	8-Bromoquinoline-7-carbaldehyde
KKB26741	5-Bromoquinoline-8-carbaldehyde
YDA94891-01	6-Bromoquinoline-2-carboxaldehyde
FIA11414	3-Bromoquinoline-6-carboxylic acid

Catalog	Name
OR88822-01	3-Bromoquinoline-6-carbaldehyde
OR84137	6-Bromoquinoline-3-carbaldehyde
OR74069-01	6-Bromoquinoline-4-carbaldehyde
OR84130-01	3-Bromoquinoline-7-carbaldehyde
OR86522-01	3-Bromoquinoline-2-carbaldehyde
OR1061269-01	3-Bromoquinoline-5-carbaldehyde
sc-267988	5-Bromoquinoline-8-carbaldehyde
OR1040629-01	8-Bromoquinoline-4-carbaldehyde
OR1002361-01	8-Bromoquinoline-2-carbaldehyde
OR89297	8-Bromoquinoline-5-carbaldehyde