AG01EOSD

Name: AU1235
Brand: Angene Chemical
SKU: AG01EOSD

1338780-86-1 | AU1235

AG01EOSD

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CAS Number	1338780-86-1
Catalog Number	AG01EOSD(AGN-PC-3H46ID)
Chemical Name	AU1235
IUPAC Name	1-(1-adamantyl)-3-(2,3,4-trifluorophenyl)urea
InChI	InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-16(23)22-17-6-9-3-10(7-17)5-11(4-9)8-17/h1-2,9-11H,3-8H2,(H2,21,22,23)
InChI Key	PYDHHHKUANVSJV-UHFFFAOYSA-N
MDL Number	MFCD31382178
Molecular Formula	C17H19F3N2O
Molecular Weight	324.3408
SMILES	N(C12CC3CC(CC(C3)C1)C2)C(=O)NC1C=CC(F)=C(F)C=1F
Synonyms	1-(2-adamantyl)-3-(2,3,4-trifluorophenyl)urea, AU1235, AU1235, 1338780-86-1, CHEMBL1818385, 1-(1-adamantyl)-3-(2,3,4-trifluorophenyl)urea, SCHEMBL18423981, SCHEMBL18464994, SCHEMBL18464996, BDBM50351247, ZINC43467997, AKOS029865185, CS-6863, HY-101867,

Complexity	445
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	324.145g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	324.347g/mol
Monoisotopic Mass	324.145g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited