AG01C51I

Name: 4-(benzylsulfanyl)-3-bromoaniline
Brand: Angene Chemical
SKU: AG01C51I

1250718-37-6 | 4-(benzylsulfanyl)-3-bromoaniline

AG01C51I

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CAS Number	1250718-37-6
Catalog Number	AG01C51I
Chemical Name	4-(benzylsulfanyl)-3-bromoaniline
IUPAC Name	4-benzylsulfanyl-3-bromoaniline
InChI	InChI=1S/C13H12BrNS/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2
InChI Key	CVUSRLKCPZSSIY-UHFFFAOYSA-N
MDL Number	MFCD16085603
Molecular Formula	C13H12BrNS
Molecular Weight	294.2101
SMILES	NC1=CC(Br)=C(SCC2=CC=CC=C2)C=C1
Synonyms	4-(benzylsulfanyl)-3-bromoaniline, 1250718-37-6, ZINC43597820, AKOS010982004, Z2418194258,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	292.987g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	294.21g/mol
Monoisotopic Mass	292.987g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

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