AG002XKS

29174-66-1 | Benzo[b]thiophene-2-carboxylic acid, 3-bromo-

AG002XKS

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	29174-66-1
Catalog Number	AG002XKS(AGN-PC-0NI77C)
Chemical Name	Benzo[b]thiophene-2-carboxylic acid, 3-bromo-
IUPAC Name	3-bromo-1-benzothiophene-2-carboxylic acid
InChI	InChI=1S/C9H5BrO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)
InChI Key	UDLGTTKXEYIEMM-UHFFFAOYSA-N
MDL Number	MFCD00466543
Molecular Formula	C9H5BrO2S
Molecular Weight	257.1038
SMILES	O=C(C1=C(Br)C2=CC=CC=C2S1)O
Synonyms	29174-66-1, 3-Bromobenzothiophene-2-carboxylic acid, 3-bromobenzo[b]thiophene-2-carboxylic acid, 3-Bromo-1-benzothiophene-2-carboxylic acid, Benzo[b]thiophene-2-carboxylic acid, 3-bromo-, 3-Bromo-benzo[b]thiophene-2-carboxylic acid, ACMC-20an8c, SCHEMBL346530, CTK0J9808, DTXSID90481884, UDLGTTKXEYIEMM-UHFFFAOYSA-N, MFCD00466543, STL301807, ZINC12955569, AKOS015889398, MCULE-7407909755, 3-Bromobenzothiophen-2-ylcarboxylic acid, FS002043, TC-169779, 3-Bromobenzothiophene-2-carboxylic acid, 97%, Benzo[b]thiophene-2-carboxylicacid, 3-bromo-, 3-Bromo-1-benzo[b]thiophene-2-carboxylic acid, 3-BROMOBENZOTHIOPHENE-2-CARBOXYLIC ACID&, J-017418, I01-18571, Z2177030866, ACN-046170,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.919g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	257.101g/mol
Monoisotopic Mass	255.919g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H317
Packing Group	\N
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

Lot Number