IMD-0560

CAT: 0926-PSA14466-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-PSA14466-02Size:10 mg

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

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CAS Number

439144-66-8

MDL Number

MFCD31630827

Smiles

C1=CC (=C (C=C1C (F) (F) F) NC (=O) C2=C (C=CC (=C2) Br) O) C (F) (F) F

Molecular Formula

C15H8BrF6NO2

Molecular Weight

428.12 g/mol

Controlled

Chemical Information

Imd-0560

CAS Number	439144-66-8
PubChem CID	11464503
IUPAC Name	N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide
Molecular Formula	C15H8BrF6NO2
Molecular Weight	428.12
XLogP	5.4
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	484

SMILES

C1=CC(=C(C=C1C(F)(F)F)NC(=O)C2=C(C=CC(=C2)Br)O)C(F)(F)F

InChI

InChI=1S/C15H8BrF6NO2/c16-8-2-4-12(24)9(6-8)13(25)23-11-5-7(14(17,18)19)1-3-10(11)15(20,21)22/h1-6,24H,(H,23,25)

InChIKey

SVGRIJCSKWXOPA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 439144-66-8

CID: 11464503

Formula: C15H8BrF6NO2

MW: 428.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	428.12
XLogP3	5.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	426.96426
Monoisotopic Mass	426.96426
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	484
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
GKB97080	Imdk
BZB85528-01	DSP-0565
QAC82230-01	CTA 056
EE179270-01	EUCODIS® Lipase 056, screening grade, recombinant, from microbial sources - EL056