AG00DQPM

52651-16-8 | 6-Bromo-2,3-dihydro-1H-indene-1-carboxylic acid

AG00DQPM

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CAS Number	52651-16-8
Catalog Number	AG00DQPM(AGN-PC-0NIITX)
Chemical Name	6-Bromo-2,3-dihydro-1H-indene-1-carboxylic acid
IUPAC Name	6-bromo-2,3-dihydro-1H-indene-1-carboxylic acid
InChI	InChI=1S/C10H9BrO2/c11-7-3-1-6-2-4-8(10(12)13)9(6)5-7/h1,3,5,8H,2,4H2,(H,12,13)
InChI Key	RMVRCSOJMLGDAG-UHFFFAOYSA-N
MDL Number	MFCD10697921
Molecular Formula	C10H9BrO2
Molecular Weight	241.0813
SMILES	O=C(C1CCC2=C1C=C(Br)C=C2)O
Synonyms	6-BROMO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID, 52651-16-8, 1H-Indene-1-carboxylic acid, 6-bromo-2,3-dihydro-, 6-bromoindan-1-carboxylic acid, SCHEMBL10469026, CTK1G2328, DTXSID30488110, 6-bromo-indane-1-carboxylic acid, RMVRCSOJMLGDAG-UHFFFAOYSA-N, MFCD10697921, AKOS022178411, AB60826, CS-W022454, DS-8368, AK145934, 6-Bromo-1-indanecarboxylic acid, AldrichCPR, 6-BROMO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLICACID,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.979g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.084g/mol
Monoisotopic Mass	239.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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