AG0027BN

179897-89-3 | Benzonitrile, 5-bromo-2-fluoro-

AG0027BN

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CAS Number	179897-89-3
Catalog Number	AG0027BN(AGN-PC-0KK0H8)
Chemical Name	Benzonitrile, 5-bromo-2-fluoro-
IUPAC Name	5-bromo-2-fluorobenzonitrile
InChI	InChI=1S/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChI Key	GYCNHFWRPJXTSB-UHFFFAOYSA-N
MDL Number	MFCD00143424
Molecular Formula	C7H3BrFN
Molecular Weight	200.0078
SMILES	FC1=CC=C(Br)C=C1C#N
Synonyms	5-Bromo-2-fluorobenzonitrile, 179897-89-3, 2-FLUORO-5-BROMOBENZONITRILE, Benzonitrile, 5-bromo-2-fluoro-, 5-bromo-2-fluorobenzenecarbonitrile, 3-CYANO-4-FLUOROBROMOBENZENE, MFCD00143424, 3-cyano-4-fluoro-bromobenzene, 5-bromo-2-fluoro-benzonitrile, ABLOCK AB-11-0918, GYCNHFWRPJXTSB-UHFFFAOYSA-N, AK-26974, EN300-81406, PubChem1582, 2-fluoro5-bromobenzonitrile, AC1MC5X7, AC1Q4KZ2, 3-cyano-4-flurobromobenzene, ACMC-1C5R3, SCHEMBL80153, 3-bromo-6-fluorobenzonitrile, KSC490Q5B, AMBZ0109, Jsp003702, CTK3J0850, DTXSID10369276, PC1420M, ATTERCOP-CHM AT107105, OTAVA-BB 1506394, WT533, ZINC155138, 3-bromo-6-fluorobenzenecarbonitrile, ACT12328, CS-D0996, KS-000001XO, ZX-AP003975, 5-Bromo-2-fluorobenzonitrile, 97%, ANW-22990, CF-694, DT1299, SBB063634, AKOS005254287, AC-3080, AF10044, AM61364, AN-1588, AS02668, CM12970, FCH2575949, FR-2557, HCH0024451, MCULE-5192803852, PS-8214, RP25740, RP25742, RTC-062371, TRA0085839, AJ-13434, BBV-36828130, BC002182, BP-12095, BR-26974, CC-21283, CJ-01395, SC-01883, SY003785, ZB005949, 5-bromanyl-2-fluoranyl-benzenecarbonitrile, AB0011372, AB1005460, AX8004029, DB-023783, TC-062371, 4CH-002954, B2425, FT-0081727, FT-0620089, ST24032922, ST50319387, 179897-89-3 5-Bromo-2-fluorobenzonitrile, MFCD00143424 (98%), TL800742030, A-3131, Z-8021, A812495, C-09407, I01-2367, J-011475, J-516927, InChI=1/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3, null, C7H3BrFN, 2,3,6-trifluorobenzoylchloride, ZINC00155138, ACN-050408, CID2724900, A1553, 5-Bromo-2-fluorobenzonitrile, 97% - 5G 5g, 189807-20-3,

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+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number