JNJ-42041935 2mg

CAT: 0628-A15793-2Size: 2 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0628-A15793-2Size:2 mg

Selected

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

Quick Request Actions

CAS Number

1193383-09-3

Chemical Information

Jnj-42041935

CAS Number	1193383-09-3
PubChem CID	45102710
IUPAC Name	1-[6-chloro-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid
Molecular Formula	C12H6ClF3N4O3
Molecular Weight	346.65
XLogP	3.1
Topological Polar Surface Area	93
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	469

SMILES

C1=C2C(=CC(=C1Cl)OC(F)(F)F)N=C(N2)N3C=C(C=N3)C(=O)O

InChI

InChI=1S/C12H6ClF3N4O3/c13-6-1-7-8(2-9(6)23-12(14,15)16)19-11(18-7)20-4-5(3-17-20)10(21)22/h1-4H,(H,18,19)(H,21,22)

InChIKey

FXHHASJVTYRJHH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1193383-09-3

CID: 45102710

Formula: C12H6ClF3N4O3

MW: 346.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	346.65
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	346.0080522
Monoisotopic Mass	346.0080522
Topological Polar Surface Area	93 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	469
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