AG00AC1N

152213-61-1 | 6-Bromoindole-3-acetonitrile

AG00AC1N

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CAS Number	152213-61-1
Catalog Number	AG00AC1N(AGN-PC-0NKYVD)
Chemical Name	6-Bromoindole-3-acetonitrile
IUPAC Name	2-(6-bromo-1H-indol-3-yl)acetonitrile
InChI	InChI=1S/C10H7BrN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3H2
InChI Key	MSIDSSLYDVKLRA-UHFFFAOYSA-N
MDL Number	MFCD09954794
Molecular Formula	C10H7BrN2
Molecular Weight	235.0800
SMILES	N#CCC1C2C=CC(=CC=2NC=1)Br
Synonyms	152213-61-1, 2-(6-bromo-1H-indol-3-yl)acetonitrile, 6-BROMOINDOLE-3-ACETONITRILE, 6-Bromo-1H-indole-3-acetonitrile, 1H-Indole-3-acetonitrile, 6-bromo-, SCHEMBL6029334, CTK7C9655, DTXSID60578593, MSIDSSLYDVKLRA-UHFFFAOYSA-N, ZINC13379652, (6-Bromo-1H-indol-3-yl)acetonitrile, AKOS011637551, CB-1178, FCH4998692, MCULE-5316863505, NE14696, SB15218, BBV-33921337, NS-03141, 6-Bromo-1H-indole-3-acetic acid; Nitrile, DB-063935, FT-0744434, EN300-112038,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.979g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	235.084g/mol
Monoisotopic Mass	233.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	39.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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