2-Chloro-5,7-difluoroquinoline

CAT: 0926-NXB00220-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-NXB00220-01Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1188002-20-1

MDL Number

MFCD19678379

Smiles

C1=CC (=NC2=C1C (=CC (=C2) F) F) Cl

Molecular Formula

C9H4ClF2N

Molecular Weight

199.58 g/mol

Controlled

Chemical Information

2-Chloro-5,7-difluoroquinoline

CAS Number	1188002-20-1
PubChem CID	53429164
IUPAC Name	2-chloro-5,7-difluoroquinoline
Molecular Formula	C9H4ClF2N
Molecular Weight	199.58
XLogP	3.4
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	190

SMILES

C1=CC(=NC2=C1C(=CC(=C2)F)F)Cl

InChI

InChI=1S/C9H4ClF2N/c10-9-2-1-6-7(12)3-5(11)4-8(6)13-9/h1-4H

InChIKey

GOXQBHKNLABQLF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1188002-20-1

CID: 53429164

Formula: C9H4ClF2N

MW: 199.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.58
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	199.0000331
Monoisotopic Mass	199.0000331
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	190
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
YFB14882-01	2-Chloro-5,8-difluoroquinoline
PXB10564-01	4-Chloro-7,8-difluoroquinoline
IYB62668-01	4-Chloro-5,8-difluoroquinoline
CYA96770-01	2-Chloro-6,8-difluoroquinoline
BEC51703-01	7,8-Difluoroquinoline-2-carbaldehyde
LMB49795-01	4-Chloro-5,8-difluoroquinoline-3-carbonitrile
TMA68551-01	Ethyl 4-chloro-7,8-difluoroquinoline-3-carboxylate
RGB60275-01	4-Chloro-5,7-difluoroquinazoline
SEC80793-01	2,4-Dichloro-5,8-difluoroquinoline
LSC10869-01	3-Bromo-7,8-difluoroquinoline

Catalog	Name
PC51041	4-Chloro-5,7-difluoroquinoline
PC100016-01	2-Chloro-5,7-difluoroquinoline-3-carbaldehyde
PC906597-01	5,7-Difluoroquinoline
PC111216-01	2-Chloro-5,8-difluoroquinoline
sc-349272	4-chloro-5,7-difluoroquinoline-3-carbonitrile
PC404605	4-Bromo-3-chloro-5,7-difluoroquinoline
PC404583	4-Chloro-7,8-difluoroquinoline
sc-269109	Ethyl 4-chloro-5,7-difluoroquinoline-3-carboxylate
sc-290181A	4-Chloro-5,8-difluoroquinoline
sc-289991	4-Bromo-5,7-difluoroquinoline