FB23 10mg

CAT: 0628-A22571-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A22571-10Size:10 mg

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

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CAS Number

2243736-35-6

Chemical Information

2-((2,6-Dichloro-4-(3,5-dimethylisoxazol-4-yl)phenyl)amino)benzoic acid

CAS Number	2243736-35-6
PubChem CID	138393314
IUPAC Name	2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid
Molecular Formula	C18H14Cl2N2O3
Molecular Weight	377.2
XLogP	5.7
Topological Polar Surface Area	75.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	469

SMILES

CC1=C(C(=NO1)C)C2=CC(=C(C(=C2)Cl)NC3=CC=CC=C3C(=O)O)Cl

InChI

InChI=1S/C18H14Cl2N2O3/c1-9-16(10(2)25-22-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(23)24/h3-8,21H,1-2H3,(H,23,24)

InChIKey

VUXZATVQMFSUCM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2243736-35-6

CID: 138393314

Formula: C18H14Cl2N2O3

MW: 377.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	377.2
XLogP3	5.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	376.0381477
Monoisotopic Mass	376.0381477
Topological Polar Surface Area	75.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	469
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