AG00145X

133059-44-6 | Benzonitrile, 4-bromo-3-fluoro-

AG00145X

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CAS Number	133059-44-6
Catalog Number	AG00145X(AGN-PC-004101)
Chemical Name	Benzonitrile, 4-bromo-3-fluoro-
IUPAC Name	4-bromo-3-fluorobenzonitrile
InChI	InChI=1S/C7H3BrFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChI Key	QBKXYSXQKRNVRQ-UHFFFAOYSA-N
MDL Number	MFCD07782069
Molecular Formula	C7H3BrFN
Molecular Weight	200.0078
SMILES	BrC1=C(C=C(C#N)C=C1)F
Synonyms	4-Bromo-3-fluorobenzonitrile, 133059-44-6, 3-Fluoro-4-bromobenzonitrile, 4-Cyano-2-fluorobromobenzene, Benzonitrile, 4-bromo-3-fluoro-, 4-bromo-3-fluorobenzenecarbonitrile, MFCD07782069, AK-25372, PubChem4707, Intermediates-ZCF02028, ACMC-1C4Z6, KSC493I5F, SCHEMBL156405, 4-bromo-3-fluoro-Benzonitrile, Jsp002012, CTK3J3452, KS-00000EIQ, 4-bromo-3-fluorobenzonitrile97%, DTXSID80569428, QBKXYSXQKRNVRQ-UHFFFAOYSA-N, ACT01076, ZX-AP003768, ANW-19488, BBL103423, CF-259, PC9579, SBB063628, STL557233, WT1777, ZINC14989287, AKOS005254288, AC-4033, AS02664, CM12969, CS-W007735, FCH5802847, LS10276, PS-8218, RP25744, RP25747, RTC-040211, TF10160, TRA0067218, VZ28526, 4-bromo-3-fluorobenzonitrile, AldrichCPR, AJ-66690, AN-12370, BBV-36841856, BC002810, BC686473, BR-25372, CJ-14904, SC-00822, SY017996, AB0020643, AX8010163, DB-006712, TC-040211, AM20060069, B4022, FT-0085043, FT-0600847, ST24032762, TL80074154, V1606, 133059-44-6 3-fluoro-4-bromobenzonitrile, EN300-86080, MFCD07782069 (97+%), 059B446, I01-2356, J-514721, Z1741967542, C7H3BrFN, 3-fluoro-4-bromobenzaldehyde, RW1828, ACN-050184, A1503, B-2270,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.943g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.01g/mol
Monoisotopic Mass	198.943g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^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-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number