TNF-a-IN-18

CAT: 0127-BUP22252-01Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP22252-01Size:25 mg

Selected

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

Quick Request Actions

CAS Number

1272322-42-5

Purity

=98%

Smiles

O=C(O)C=1C(=O)C2=CC=C(Cl)C=C2OC1C=3C=C(F)C=CC3F

Chemical Information

7-Chloro-2-(2,5-difluorophenyl)-4-oxo-4H-1-benzopyran-3-carboxylic acid

CAS Number	1272322-42-5
PubChem CID	138561980
IUPAC Name	7-chloro-2-(2,5-difluorophenyl)-4-oxochromene-3-carboxylic acid
Molecular Formula	C16H7ClF2O4
Molecular Weight	336.67
XLogP	4.3
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	23
Formal Charge	0
Complexity	550

SMILES

C1=CC(=C(C=C1F)C2=C(C(=O)C3=C(O2)C=C(C=C3)Cl)C(=O)O)F

InChI

InChI=1S/C16H7ClF2O4/c17-7-1-3-9-12(5-7)23-15(13(14(9)20)16(21)22)10-6-8(18)2-4-11(10)19/h1-6H,(H,21,22)

InChIKey

NWCUBMQZYIIGFT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1272322-42-5

CID: 138561980

Formula: C16H7ClF2O4

MW: 336.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.67
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	336.0000927
Monoisotopic Mass	336.0000927
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	550
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
BUP21395-01	TNF-Î±-IN-2
BUP08864-01	TNF-a-IN-9
OR1100379-01	18-Ethoxy-18-oxooctadecanoic acid
OR92384-01	18-Methoxy-18-oxooctadecanoic acid
OR303206	18- (Benzyloxy) -18-oxooctadecanoic acid
OR303231-01	18- (tert-Butoxy) -18-oxooctadecanoic acid
BUP23979-01	CDK7-IN-18
BUP05677-01	Purpurin 18
BUP08038-01	S6K-18
BUP14179-01	RN-18

Catalog	Name
GTR19236341-01	TNF-α-IN-18
EK10F723-01	Canine TNF Superfamily Member 18 (TNFSF18) ELISA Kit-Sandwich
EK10F58-01	Bovine TNF Superfamily Member 18 (TNFSF18) ELISA Kit-Sandwich
EK9F635-01	Porcine TNF Superfamily Member 18 (TNFSF18) ELISA Kit-Sandwich
137504	TNF-alpha (TNF, TNF-a, TNFA, TNF Superfamily) (PE) discontinued
EK10F86-01	Bovine TNF Receptor Superfamily Member 18 (TNFRSF18) ELISA Kit-Sandwich
EK10F915-01	Canine TNF Receptor Superfamily Member 18 (TNFRSF18) ELISA Kit-Sandwich
EK9F628-01	Porcine TNF Receptor Superfamily Member 18 (TNFRSF18) ELISA Kit-Sandwich
EK9F178-01	Chicken TNF Receptor Superfamily Member 18 (TNFRSF18) ELISA Kit-Sandwich
GS40010-01	(Adalimumab) Biosimilar Reference Antibody (TNF/TNFA) (CAS NO:331731-18-1)