AG00815R

120315-65-3 | 4-Bromo-3-methoxybenzonitrile

AG00815R

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CAS Number	120315-65-3
Catalog Number	AG00815R(AGN-PC-03RQTQ)
Chemical Name	4-Bromo-3-methoxybenzonitrile
IUPAC Name	4-bromo-3-methoxybenzonitrile
InChI	InChI=1S/C8H6BrNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,1H3
InChI Key	TWBFZKKJFREYES-UHFFFAOYSA-N
MDL Number	MFCD09753723
Molecular Formula	C8H6BrNO
Molecular Weight	212.0433
SMILES	N#CC1=CC=C(Br)C(OC)=C1
Synonyms	4-Bromo-3-methoxybenzonitrile, 120315-65-3, 4-bromo--3-methoxybenzonitrile, 2-METHOXY-4-CYANO-BROMOBENZENE, 2-BROMO-5-CYANOANISOLE, Benzonitrile, 4-romo-3-ethoxy-, Benzonitrile, 4-bromo-3-methoxy-, KSC494G5F, SCHEMBL364484, ACMC-209a71, 4-bromo-3-methoxy-benzonitrile, 4-Bromo-3-methoxybenzo nitrile, CTK3J4352, KS-00000DAS, DTXSID10626654, TWBFZKKJFREYES-UHFFFAOYSA-N, WT022, ACT01079, ANW-17483, MFCD09753723, ZINC28278317, AKOS015851834, AM84110, AS03708, AS05806, CM12982, CS-W003641, GS-3858, RP26646, RTX-012018, AC-26116, AJ-83406, AK-32975, BR-32975, CJ-17666, SC-20666, SY025036, AB0035138, DB-011282, ST2418197, 4CH-000278, FT-0081629, FT-0651197, X9417, MFCD09753723 (97%), 120315-65-3 3-methoxy-4-bromobenzonitrile, A-5406, I01-9024, J-514734, C8H6BrNO, A2519,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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