AG008FJM

860624-90-4 | 5-Bromo-1H-indole-7-carboxylic acid

AG008FJM

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CAS Number	860624-90-4
Catalog Number	AG008FJM(AGN-PC-09SIVV)
Chemical Name	5-Bromo-1H-indole-7-carboxylic acid
IUPAC Name	5-bromo-1H-indole-7-carboxylic acid
InChI	InChI=1S/C9H6BrNO2/c10-6-3-5-1-2-11-8(5)7(4-6)9(12)13/h1-4,11H,(H,12,13)
InChI Key	VZYDZTIPNOBVNC-UHFFFAOYSA-N
MDL Number	MFCD11845481
Molecular Formula	C9H6BrNO2
Molecular Weight	240.0534
SMILES	O=C(C1=CC(Br)=CC2=C1NC=C2)O
Synonyms	5-Bromo-1H-indole-7-carboxylic acid, 860624-90-4, 1H-Indole-7-carboxylic acid, 5-bromo-, AK-74269, 5-Bromoindole-7-carboxylic acid, SCHEMBL552639, CTK3C7772, KS-00000PAM, DTXSID10694595, 5-Bromo indole-7-carboxylic acid, VZYDZTIPNOBVNC-UHFFFAOYSA-N, MFCD11845481, ZINC43220657, AKOS016000666, ACN-048459, CB-3972, CS-W005216, FCH1367485, FS-3778, MP-0235, SB15935, AB0051484, AJ-108541, AX8219729, 4CH-011001, FT-0754697, ST24023870, Z5208, C9H6BrNO2, 5-Bromo-1H-indole-7-carboxylicacid,

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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number