AG00HAAP

Name: 4-[(Pyrrolidine-1-sulfonyl)methyl]benzonitrile
Brand: Angene Chemical
SKU: AG00HAAP

1041561-96-9 | 4-[(Pyrrolidine-1-sulfonyl)methyl]benzonitrile

AG00HAAP

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CAS Number	1041561-96-9
Catalog Number	AG00HAAP(AGN-PC-0WRA9J)
Chemical Name	4-[(Pyrrolidine-1-sulfonyl)methyl]benzonitrile
IUPAC Name	4-(pyrrolidin-1-ylsulfonylmethyl)benzonitrile
InChI	InChI=1S/C12H14N2O2S/c13-9-11-3-5-12(6-4-11)10-17(15,16)14-7-1-2-8-14/h3-6H,1-2,7-8,10H2
InChI Key	JWHAMFBBZFBYKU-UHFFFAOYSA-N
MDL Number	MFCD11120636
Molecular Formula	C12H14N2O2S
Molecular Weight	250.3168
SMILES	N#Cc1ccc(cc1)CS(=O)(=O)N1CCCC1
Synonyms	4-[(Pyrrolidine-1-sulfonyl)methyl]benzonitrile, 1041561-96-9, AKOS009084363,

Complexity	390
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.078g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.316g/mol
Monoisotopic Mass	250.078g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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