AG00DAAI

Name: (3-Chloro-5-hexyl-2,6-dihydroxyphenyl)(4,5-dichloro-1H-pyrrol-3-yl)methanone
Brand: Angene Chemical
SKU: AG00DAAI

491600-94-3 | (3-Chloro-5-hexyl-2,6-dihydroxyphenyl)(4,5-dichloro-1H-pyrrol-3-yl)methanone

AG00DAAI

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CAS Number	491600-94-3
Catalog Number	AG00DAAI(AGN-PC-0MVI9Q)
Chemical Name	(3-Chloro-5-hexyl-2,6-dihydroxyphenyl)(4,5-dichloro-1H-pyrrol-3-yl)methanone
IUPAC Name	(3-chloro-5-hexyl-2,6-dihydroxyphenyl)-(4,5-dichloro-1H-pyrrol-2-yl)methanone
InChI	InChI=1S/C17H18Cl3NO3/c1-2-3-4-5-6-9-7-10(18)15(23)13(14(9)22)16(24)12-8-11(19)17(20)21-12/h7-8,21-23H,2-6H2,1H3
InChI Key	VPAMZQVPJOAFJG-UHFFFAOYSA-N
MDL Number	MFCD16876177
Molecular Formula	C17H18Cl3NO3
Molecular Weight	390.6887
SMILES	ClC1=CC(CCCCCC)=C(O)C(C(C2=CC(Cl)=C(Cl)N2)=O)=C1O
Synonyms	celastramycin A, Celastramycin A, 491600-94-3, SCHEMBL8745720, CTK8E7710, DTXSID00432706, 1667AH, ZINC13310842, RT-011969, C17H18Cl3NO3, CID9908460, (3-chloro-5-hexyl-2,6-dihydroxy-phenyl)-(4,5-dichloro-1H-pyrrol-2-yl)methanone,

Complexity	426
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	389.035g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	390.685g/mol
Monoisotopic Mass	389.035g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	73.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.4

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