AG0037KC

374633-27-9 | 4-bromo-1H-indole-6-carboxylic acid

AG0037KC

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CAS Number	374633-27-9
Catalog Number	AG0037KC(AGN-PC-0WAG4Q)
Chemical Name	4-bromo-1H-indole-6-carboxylic acid
IUPAC Name	4-bromo-1H-indole-6-carboxylic acid
InChI	InChI=1S/C9H6BrNO2/c10-7-3-5(9(12)13)4-8-6(7)1-2-11-8/h1-4,11H,(H,12,13)
InChI Key	SAEJTFXNRYRHNA-UHFFFAOYSA-N
MDL Number	MFCD03095205
Molecular Formula	C9H6BrNO2
Molecular Weight	240.0534
SMILES	BrC1=C2C=CNC2=CC(=C1)C(=O)O
Synonyms	4-Bromo-1H-indole-6-carboxylic acid, 374633-27-9, 4-Bromoindole-6-carboxylic acid, 4-Bromo-6-indolecarboxylic acid, SCHEMBL3545296, CTK4H8210, DTXSID30646435, 4-bromo-indole-6-carboxylic acid, SAEJTFXNRYRHNA-UHFFFAOYSA-N, KS-000007MD, ZINC2384053, MFCD03095205, AKOS008901322, CB-3963, FCH1328580, PB20807, AC-11485, ACM374633279, AJ-35018, AK130525, SC-45678, TS-03349, AX8095139, CS-0051013, ST24043333, Q-2107, I10-0774,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.958g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	240.056g/mol
Monoisotopic Mass	238.958g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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

Lot Number