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AG00DAQW

Name: Exo1
Brand: Angene Chemical
SKU: AG00DAQW

461681-88-9 | Exo1

Chemical structure of Exo1, CAS 461681-88-9

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CAS Number	461681-88-9
Catalog Number	AG00DAQW(AGN-PC-0RUBJY)
Chemical Name	Exo1
IUPAC Name	methyl 2-[(4-fluorobenzoyl)amino]benzoate
InChI	InChI=1S/C15H12FNO3/c1-20-15(19)12-4-2-3-5-13(12)17-14(18)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,18)
InChI Key	KIAPWMKFHIKQOZ-UHFFFAOYSA-N
MDL Number	MFCD00028104
Molecular Formula	C15H12FNO3
Molecular Weight	273.2591
NSC Number	214045
SMILES	FC1=CC=C(C(=O)C=2C(=NC(=CC2)C)C(=O)OC)C=C1
Synonyms	2-(4-fluorobenzoylamino)benzoic acid methyl ester, Exo1 compound, Exo1, 461681-88-9, methyl 2-[(4-fluorobenzoyl)amino]benzoate, 75541-83-2, 2-(4-Fluorobenzoylamino)benzoic acid methyl ester, Exo-1, methyl 2-(4-fluorobenzamido)benzoate, 2-(4-Fluorobenzoylamino)methylbenzoate, SR-01000405814, NSC214045, Exo 1, AC1L7HGZ, Probes1_000309, Probes1_000314, Probes1_000442, Probes2_000388, Probes2_000515, AC1Q43KG, Oprea1_575828, CBDivE_001626, MLS000722799, ARONIS013088, CHEMBL250428, SCHEMBL4459274, CHEBI:93386, CTK8E8654, AOB5633, HMS2757J19, HMS3268K08, HMS3428E09, HMS3676L04, ML084, ZINC189403, KS-000043UB, HSCI1_000065, IN1342, STK514439, AKOS000453340, Exo 1, >=98% (HPLC), solid, MCULE-4761130368, NSC-214045, NCGC00025310-01, NCGC00025310-02, SMR000304795, ZB009422, DB-051358, HY-112670, RT-012667, B6876, CS-0059209, EU-0002175, FT-0644702, ST45049798, methyl 2-[(4-fluorophenyl)carbonylamino]benzoate, 2-[(4-fluorobenzoyl)amino]benzoic acid methyl ester, methyl 2-{[(4-fluorophenyl)carbonyl]amino}benzoate, SR-01000405814-1, SR-01000405814-2, BRD-K78633253-001-01-2, BRD-K78633253-001-04-6, 2-[(4-FLUOROBENZOYL)AMINO]-BENZOIC ACID METHYL ESTER, CID310557, 2-(4-Fluoro-benzoylamino)-benzoic acid methyl ester,

Complexity	353
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.08g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	273.263g/mol
Monoisotopic Mass	273.08g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited

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