AG019ND8

Name: 2-{[(4-Bromophenyl)methyl]sulfanyl}benzoic acid
Brand: Angene Chemical
SKU: AG019ND8

98808-50-5 | 2-{[(4-Bromophenyl)methyl]sulfanyl}benzoic acid

AG019ND8

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CAS Number	98808-50-5
Catalog Number	AG019ND8(AGN-PC-0KWW0F)
Chemical Name	2-{[(4-Bromophenyl)methyl]sulfanyl}benzoic acid
IUPAC Name	2-[(4-bromophenyl)methylsulfanyl]benzoic acid
InChI	InChI=1S/C14H11BrO2S/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(16)17/h1-8H,9H2,(H,16,17)
InChI Key	ITEYFCUZWSWOKH-UHFFFAOYSA-N
MDL Number	MFCD02317467
Molecular Formula	C14H11BrO2S
Molecular Weight	323.2049
SMILES	OC(C1=C(SCC2=CC=C(Br)C=C2)C=CC=C1)=O
Synonyms	2-{[(4-bromophenyl)methyl]sulfanyl}benzoic acid, 98808-50-5, 2-[(4-bromobenzyl)thio]benzoic acid, AC1MSIDW, 2-[(4-bromophenyl)methylsulfanyl]benzoic Acid, AC1Q72M8, CTK5I7452, ZINC6222349, AKOS000177791, MCULE-2082504382, NE12096, NCGC00339434-01, 2-[(4-bromophenyl)methylthio]benzoic acid, ST50822332, EN300-40080, AB01332319-02, Z55950609, CID3584842, 2-([(4-bromophenyl)methyl]sulfanyl)benzoic acid,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	321.966g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	323.204g/mol
Monoisotopic Mass	321.966g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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