AG00C6JT

Name: RNPA1000
Brand: Angene Chemical
SKU: AG00C6JT

359600-10-5 | RNPA1000

AG00C6JT

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CAS Number	359600-10-5
Catalog Number	AG00C6JT
Chemical Name	RNPA1000
IUPAC Name	4-[3-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
InChI	InChI=1S/C23H18BrN3O3/c1-14-10-17(15(2)27(14)21-8-6-16(7-9-21)23(29)30)11-18(13-25)22(28)26-20-5-3-4-19(24)12-20/h3-12H,1-2H3,(H,26,28)(H,29,30)
InChI Key	WQCMDUBFZYCGMI-UHFFFAOYSA-N
MDL Number	MFCD02611943
Molecular Formula	C23H18BrN3O3
Molecular Weight	464.3113
SMILES	C(O)(=O)C1=CC=C(N2C(C)=CC(/C=C(C#N)/C(NC3=CC=CC(Br)=C3)=O)=C2C)C=C1
Synonyms	359600-10-5, AC1MUWWG, MCULE-6243063877, 4-[3-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid, RNPA1000, CID3673289, 4-[3-[2-[(3-bromophenyl)carbamoyl]-2-cyano-ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoic Acid,

Complexity	723
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	463.053g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	464.319g/mol
Monoisotopic Mass	463.053g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	95.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	1
XLogP3	5.1

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