AG000D14

1167055-46-0 | 4-bromo-1H-indole-7-carbonitrile

AG000D14

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CAS Number	1167055-46-0
Catalog Number	AG000D14(AGN-PC-09SJ2O)
Chemical Name	4-bromo-1H-indole-7-carbonitrile
IUPAC Name	4-bromo-1H-indole-7-carbonitrile
InChI	InChI=1S/C9H5BrN2/c10-8-2-1-6(5-11)9-7(8)3-4-12-9/h1-4,12H
InChI Key	JRCFPOKROROTNV-UHFFFAOYSA-N
MDL Number	MFCD11845629
Molecular Formula	C9H5BrN2
Molecular Weight	221.0534
SMILES	N#CC1=CC=C(Br)C2=C1NC=C2
Synonyms	4-bromo-1h-indole-7-carbonitrile, 1167055-46-0, 4-Bromo-7-cyanoindole, 1H-Indole-7-carbonitrile, 4-bromo-, SCHEMBL2123782, DTXSID70694637, JRCFPOKROROTNV-UHFFFAOYSA-N, 2730AA, MFCD11845629, ZINC44184924, AKOS016010991, DS-5742, FCH1405989, SB15148, KS-000005W0, AK119754, QC-10633, AB0098176, AJ-109499, AX8245170, ST2411145, 4CH-012336, CS-0042035, FT-0769310, W-1458, C9H5BrN2,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.964g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.057g/mol
Monoisotopic Mass	219.964g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	39.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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