Loflucarban 500mg

CAT: 0628-A22658-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A22658-500Size:500 mg

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CAS Number

790-69-2

Chemical Information

Loflucarban

Loflucarban is a member of thioureas.

CAS Number	790-69-2
PubChem CID	3033993
IUPAC Name	1-(3,5-dichlorophenyl)-3-(4-fluorophenyl)thiourea
Molecular Formula	C13H9Cl2FN2S
Molecular Weight	315.2
XLogP	4.4
Topological Polar Surface Area	56.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	301

SMILES

C1=CC(=CC=C1NC(=S)NC2=CC(=CC(=C2)Cl)Cl)F

InChI

InChI=1S/C13H9Cl2FN2S/c14-8-5-9(15)7-12(6-8)18-13(19)17-11-3-1-10(16)2-4-11/h1-7H,(H2,17,18,19)

InChIKey

ZHNUMLOCJMCLIT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 790-69-2

CID: 3033993

Formula: C13H9Cl2FN2S

MW: 315.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.2
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	313.9847530
Monoisotopic Mass	313.9847530
Topological Polar Surface Area	56.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	301
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
BUP10213-01	Loflucarban
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00548-20157	Welchrom Carb/PSA, 500mg/500mg/12mL, 20pcs/pk
00527-20157	Welchrom Carb/NH2, 500mg/500mg/12mL, 20pcs/pk
00527-20011	Welchrom Carb/NH2, 500mg/500mg/6mL, 30pcs/pk