GOAT-IN-1

CAT: 0607-BA7111-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7111-1Size:1 mg

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

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CAS Number

1452473-54-9

Form

A solid

Molecular Formula

C18H13ClF3NO3S

Molecular Weight

415.81

Shipping Conditions

Blue ice

Storage Conditions

Tightly sealed and desiccated at 4°C.

Chemical Information

Goat-IN-1

CAS Number	1452473-54-9
PubChem CID	89767718
IUPAC Name	2-[4-chloro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophen-3-yl]acetic acid
Molecular Formula	C18H13ClF3NO3S
Molecular Weight	415.8
XLogP	4.7
Topological Polar Surface Area	87.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	538

SMILES

CC1=C(C=CC(=N1)C(F)(F)F)COC2=CC3=C(C(=C2)Cl)C(=CS3)CC(=O)O

InChI

InChI=1S/C18H13ClF3NO3S/c1-9-10(2-3-15(23-9)18(20,21)22)7-26-12-5-13(19)17-11(4-16(24)25)8-27-14(17)6-12/h2-3,5-6,8H,4,7H2,1H3,(H,24,25)

InChIKey

IXAAPJMGWLXOIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1452473-54-9

CID: 89767718

Formula: C18H13ClF3NO3S

MW: 415.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	415.8
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	415.0256766
Monoisotopic Mass	415.0256766
Topological Polar Surface Area	87.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	538
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
K1217-1	Biotin Goat Anti-Mouse IgG (H+L) Antibody
K1223-1	HRP Goat Anti-Rabbit IgG (H+L) Antibody
K1218-1	Biotin Goat Anti-Human IgG (H+L) Antibody
K1217-2	Biotin Goat Anti-Mouse IgG (H+L) Antibody
K1210-1	Cy5 Goat Anti-Mouse IgG (H+L) Antibody
K1213-1	FITC Rabbit Anti-Goat IgG (H+L) Antibody
K1220-2	Biotin Rabbit Anti-Goat IgG (H+L) Antibody
K1215-2	Cy3 Rabbit Anti-Goat IgG (H+L) Antibody
K1216-1	Cy5 Rabbit Anti-Goat IgG (H+L) Antibody
K1216-2	Cy5 Rabbit Anti-Goat IgG (H+L) Antibody