HSL-IN-1 2mg

CAT: 0628-A13174-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A13174-2Size:2 mg

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

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CAS Number

2095156-13-9

Chemical Information

Hsl-IN-1

CAS Number	2095156-13-9
PubChem CID	132569642
IUPAC Name	[5-chloro-2-[[6-[4-(trifluoromethyl)phenoxy]pyridine-3-carbonyl]amino]phenyl]boronic acid
Molecular Formula	C19H13BClF3N2O4
Molecular Weight	436.6
Topological Polar Surface Area	91.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	578

SMILES

B(C1=C(C=CC(=C1)Cl)NC(=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)C(F)(F)F)(O)O

InChI

InChI=1S/C19H13BClF3N2O4/c21-13-4-7-16(15(9-13)20(28)29)26-18(27)11-1-8-17(25-10-11)30-14-5-2-12(3-6-14)19(22,23)24/h1-10,28-29H,(H,26,27)

InChIKey

PDMXSCCBEBCTGX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2095156-13-9

CID: 132569642

Formula: C19H13BClF3N2O4

MW: 436.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	436.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	436.0608992
Monoisotopic Mass	436.0608992
Topological Polar Surface Area	91.7 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	578
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