6,7-Difluoroquinoline

CAT: 0127-PC108801-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC108801-01Size:250 mg

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CAS Number

127827-50-3

Synonyms

6,7-difluoroquinoline

Purity

99%

Smiles

C1=CC2=CC(=C(C=C2N=C1)F)F

Chemical Information

6,7-Difluoroquinoline

CAS Number	127827-50-3
PubChem CID	921294
IUPAC Name	6,7-difluoroquinoline
Molecular Formula	C9H5F2N
Molecular Weight	165.14
XLogP	2.4
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	163

SMILES

C1=CC2=CC(=C(C=C2N=C1)F)F

InChI

InChI=1S/C9H5F2N/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h1-5H

InChIKey

IDDIQDVSYHYORP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 127827-50-3

CID: 921294

Formula: C9H5F2N

MW: 165.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.14
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	165.03900549
Monoisotopic Mass	165.03900549
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	163
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
PC1004184-01	5,7-Difluoroquinoline-6-carboxylic acid
PC906597-01	5,7-Difluoroquinoline
PC100104-01	7,8-Difluoroquinoline
PC902177-01	6,8-Difluoroquinoline
PC404583	4-Chloro-7,8-difluoroquinoline
PC404581	4-Bromo-5,7-difluoroquinoline
PC51041	4-Chloro-5,7-difluoroquinoline
PC404585	4-Amino-7,8-difluoroquinoline
PC1001229	3-Bromo-7,8-difluoroquinoline
PC404584-01	4-Bromo-7,8-difluoroquinoline

Catalog	Name
sc-357209	6,7-difluoroquinoline
sc-351059A	5,7-difluoroquinoline
GTR19254253-01	6,8-Difluoroquinoline
BJB97325-01	3,6-Difluoroquinoline
BEC51703-01	7,8-Difluoroquinoline-2-carbaldehyde
NXB00220-01	2-Chloro-5,7-difluoroquinoline
sc-289991	4-Bromo-5,7-difluoroquinoline
sc-289868	4-Amino-7,8-difluoroquinoline
PXB10564-01	4-Chloro-7,8-difluoroquinoline
sc-290064A	4-Bromo-7,8-difluoroquinoline