PTP1B-IN-3 5mg

CAT: 0628-A21149-5Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0628-A21149-5Size:5 mg

Selected

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

Quick Request Actions

CAS Number

809272-64-8

Chemical Information

((3-Bromo-7-cyano-2-naphthyl)(difluoro)methyl)phosphonic acid

[(3-bromo-7-cyano-2-naphthalenyl)-difluoromethyl]phosphonic acid is a member of naphthalenes.

CAS Number	809272-64-8
PubChem CID	24857885
IUPAC Name	[(3-bromo-7-cyanonaphthalen-2-yl)-difluoromethyl]phosphonic acid
Molecular Formula	C12H7BrF2NO3P
Molecular Weight	362.06
XLogP	2.3
Topological Polar Surface Area	81.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	475

SMILES

C1=CC2=CC(=C(C=C2C=C1C#N)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C12H7BrF2NO3P/c13-11-5-8-2-1-7(6-16)3-9(8)4-10(11)12(14,15)20(17,18)19/h1-5H,(H2,17,18,19)

InChIKey

BWJOQFMMTKEZGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 809272-64-8

CID: 24857885

Formula: C12H7BrF2NO3P

MW: 362.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	362.06
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	360.93150
Monoisotopic Mass	360.93150
Topological Polar Surface Area	81.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	475
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
GTR19205052-01	PTP1B-IN-3
HY-15133A	PTP1B-IN-3 (diammonium)
MBS5804546	PTP1B-IN-3 diammonium
MBS8534661-01	PTP1B
QY-E05410	Human PTP1B (PTP1B) ELISA Kit
513271	PTP1B (PTP 1B, PTP1B, PTPN1) discontinued
BA8143-25	PTP1B-IN-22
BA8105-5.1	PTP1B-IN-1
10R-8026	PTP1B antibody