AG003J23

117572-79-9 | 3-Bromo-4-methoxybenzonitrile

AG003J23

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CAS Number	117572-79-9
Catalog Number	AG003J23(AGN-PC-0JVO6R)
Chemical Name	3-Bromo-4-methoxybenzonitrile
IUPAC Name	3-bromo-4-methoxybenzonitrile
InChI	InChI=1S/C8H6BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
InChI Key	QHWZMDRKTYTPEE-UHFFFAOYSA-N
MDL Number	MFCD00143097
Molecular Formula	C8H6BrNO
Molecular Weight	212.0433
SMILES	N#CC1=CC=C(OC)C(Br)=C1
Synonyms	3-Bromo-4-methoxybenzonitrile, 117572-79-9, 2-Bromo-4-cyanoanisole, 3-Bromo-4-methoxylbenzonitrile, 3-bromo-4-methoxy-benzonitrile, Benzonitrile, 3-bromo-4-methoxy-, 3-bromo-4-methoxybenzenecarbonitrile, 3-Bromo-4-methoxybenzonitrile, 99%, MFCD00143097, AK-32943, W-204949, PubChem3795, ACMC-1CEXJ, AC1LEH8O, Maybridge4_001971, 3-Bromo4-methoxybenzonitrile, KSC494M8L, SCHEMBL708391, 3-bromo-4-methoxy benzonitrile, 3-bromo-4-methoxyben-zonitrile, AC1Q44L4, CTK3J4685, KS-00000EIX, QHWZMDRKTYTPEE-UHFFFAOYSA-, DTXSID20352917, AKOS B004290, QHWZMDRKTYTPEE-UHFFFAOYSA-N, HMS1526J13, ZINC155332, 3-Bromo-4-(methyloxy)benzonitrile, ACT12464, STR08293, ZX-AT004162, ANW-17034, OR2200, SBB063838, AKOS000304734, AB03835, AM82844, AN-6191, AS03707, CB-1425, CCG-239674, CM12980, FCH4864572, MCULE-8793040305, PS-4189, RP04803, RTR-003104, TRA0091452, VZ35016, OTAVA-BB 7114840645, NCGC00177061-01, AC-26114, AJ-13546, BBV-32253578, BC002600, CC-14445, CJ-01422, SY023061, AB0061139, AX8010923, DB-022346, TR-003104, B3124, CS-0042156, FT-0081789, FT-0615164, ST24041873, ST50319653, A-5229, A21026, EN300-169921, MFCD00143097 (97+%), I01-3058, BRD-K75431340-001-01-9, 2-Bromo-4-(trifluoromethyl)anisole;2-Bromo-4-cyanoanisole, InChI=1/C8H6BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3, DMXAA, CID736049, ZINC00155332, 3-Bromo-4-methoxybenzonitrile, 98% - 5G 5g,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.963g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.046g/mol
Monoisotopic Mass	210.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^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+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number