AG00IWOC

Name: 3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid
Brand: Angene Chemical
SKU: AG00IWOC

860787-38-8 | 3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid

AG00IWOC

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CAS Number	860787-38-8
Catalog Number	AG00IWOC(AGN-PC-0WAR8Y)
Chemical Name	3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid
IUPAC Name	3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(7-12(18)19)9-5-4-8(15)6-10(9)16/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)
InChI Key	GCMABDJIXXRLPM-UHFFFAOYSA-N
MDL Number	MFCD06496115
Molecular Formula	C14H17F2NO4
Molecular Weight	301.2859
SMILES	CC(C)(OC(=O)NC(CC(=O)O)C1=C(C=C(C=C1)F)F)C
Synonyms	860787-38-8, 3-[(tert-butoxycarbonyl)amino]-3-(2,4-difluorophenyl)propanoic acid, 3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid, 3-((TERT-BUTOXYCARBONYL)AMINO)-3-(2,4-DIFLUOROPHENYL)PROPANOIC ACID, AC1NR368, SCHEMBL16680101, KS-00001T8M, AKOS005081557, MCULE-5550062005, 3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, SR-01000307527, 12X-0812, SR-01000307527-1, CID5260587,

Complexity	384
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.113g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	301.29g/mol
Monoisotopic Mass	301.113g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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