7-bromoquinoline-2-carbaldehyde

CAT: 0926-ELB36920-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-ELB36920-01Size:50 mg

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CAS Number

904369-20-6

MDL Number

MFCD06824224

Smiles

C1=CC (=CC2=C1C=CC (=N2) C=O) Br

Molecular Formula

C10H6BrNO

Molecular Weight

236.1 g/mol

Controlled

Chemical Information

7-Bromo-2-quinolinecarboxaldehyde

CAS Number	904369-20-6
PubChem CID	36688023
IUPAC Name	7-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=CC(=CC2=C1C=CC(=N2)C=O)Br

InChI

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

InChIKey

UAAIYUWCJFTSAF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 904369-20-6

CID: 36688023

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
FB173183	3-bromoquinoline-7-carbaldehyde
YXC90519-01	7-Bromoquinoline-8-carbaldehyde
VEB83024-01	7-bromoquinoline-3-carbaldehyde
MCC13920-01	8-Bromoquinoline-7-carbaldehyde
ELB88625-01	8-bromoquinoline-2-carbaldehyde
WXB15568	6-Bromoquinoline-3-carbaldehyde
GCC60690-01	6-bromoquinoline-8-carbaldehyde
KKB26741	5-Bromoquinoline-8-carbaldehyde
FB33282-01	7-Bromoquinoline
KWC59195-01	2-Bromoquinoline-7-carboxylic acid

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