MIPS521

CAT: 0127-BUP03322-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03322-04Size:25 mg

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

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CAS Number

1146188-19-3

Purity

=98%

Smiles

Nc1scc(c1C(=O)c1ccc(Cl)cc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F

Chemical Information

(2-Amino-4-(3,5-bis(trifluoromethyl)phenyl)thiophen-3-yl)(4-chlorophenyl)methanone

CAS Number	1146188-19-3
PubChem CID	25263603
IUPAC Name	[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone
Molecular Formula	C19H10ClF6NOS
Molecular Weight	449.8
XLogP	7.2
Topological Polar Surface Area	71.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	29
Formal Charge	0
Complexity	570

SMILES

C1=CC(=CC=C1C(=O)C2=C(SC=C2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N)Cl

InChI

InChI=1S/C19H10ClF6NOS/c20-13-3-1-9(2-4-13)16(28)15-14(8-29-17(15)27)10-5-11(18(21,22)23)7-12(6-10)19(24,25)26/h1-8H,27H2

InChIKey

IVHJBJJHYFIUOA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1146188-19-3

CID: 25263603

Formula: C19H10ClF6NOS

MW: 449.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	449.8
XLogP3	7.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	449.0075818
Monoisotopic Mass	449.0075818
Topological Polar Surface Area	71.3 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	570
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
MBS5786244	MIPS521