XMU-MP-9 5mg

CAT: 0628-A24568-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A24568-5Size:5 mg

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

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CAS Number

2251130-41-1

Chemical Information

N-(2-chloro-6-fluorobenzyl)-5-(1H-indazol-3-yl)thiophene-3-carboxamide

CAS Number	2251130-41-1
PubChem CID	146637980
IUPAC Name	N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)thiophene-3-carboxamide
Molecular Formula	C19H13ClFN3OS
Molecular Weight	385.8
XLogP	4.4
Topological Polar Surface Area	86
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	513

SMILES

C1=CC=C2C(=C1)C(=NN2)C3=CC(=CS3)C(=O)NCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C19H13ClFN3OS/c20-14-5-3-6-15(21)13(14)9-22-19(25)11-8-17(26-10-11)18-12-4-1-2-7-16(12)23-24-18/h1-8,10H,9H2,(H,22,25)(H,23,24)

InChIKey

YDCYIWXSUZHJCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2251130-41-1

CID: 146637980

Formula: C19H13ClFN3OS

MW: 385.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	385.8
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	385.0451891
Monoisotopic Mass	385.0451891
Topological Polar Surface Area	86 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	513
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