AG00HA51

Name: 2-[(Pyrrolidine-1-sulfonyl)methyl]benzonitrile
Brand: Angene Chemical
SKU: AG00HA51

1036513-85-5 | 2-[(Pyrrolidine-1-sulfonyl)methyl]benzonitrile

AG00HA51

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CAS Number	1036513-85-5
Catalog Number	AG00HA51
Chemical Name	2-[(Pyrrolidine-1-sulfonyl)methyl]benzonitrile
IUPAC Name	2-(pyrrolidin-1-ylsulfonylmethyl)benzonitrile
InChI	InChI=1S/C12H14N2O2S/c13-9-11-5-1-2-6-12(11)10-17(15,16)14-7-3-4-8-14/h1-2,5-6H,3-4,7-8,10H2
InChI Key	JCEKCAOEHWSOIG-UHFFFAOYSA-N
MDL Number	MFCD11118167
Molecular Formula	C12H14N2O2S
Molecular Weight	250.3168
SMILES	N#Cc1ccccc1CS(=O)(=O)N1CCCC1
Synonyms	1036513-85-5, 2-[(Pyrrolidine-1-sulfonyl)methyl]benzonitrile, 2-((Pyrrolidin-1-ylsulfonyl)methyl)benzonitrile, ZX-AH016262, AKOS009053675, IMED133691903,

Complexity	398
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