AG008H35

840481-82-5 | 3-Bromo-2-fluorobenzonitrile

AG008H35

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CAS Number	840481-82-5
Catalog Number	AG008H35(AGN-PC-0KKOHE)
Chemical Name	3-Bromo-2-fluorobenzonitrile
IUPAC Name	3-bromo-2-fluorobenzonitrile
InChI	InChI=1S/C7H3BrFN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H
InChI Key	AMKVZJOQZLIOSL-UHFFFAOYSA-N
MDL Number	MFCD06657980
Molecular Formula	C7H3BrFN
Molecular Weight	200.0078
SMILES	N#CC1=CC=CC(Br)=C1F
Synonyms	3-Bromo-2-fluorobenzonitrile, 840481-82-5, Benzonitrile, 3-bromo-2-fluoro-, 3-bromo-2-fluoro-benzonitrile, 3-bromo-2-fluorobenzenecarbonitrile, 1-BROMO-3-CYANO-2-FLUOROBENZENE, AK-43039, W-203900, PubChem4704, bromofluoro benzonitrile, Benzonitrile, 3-bromo-2-fluoro- (9CI), ACMC-209ptp, AC1MC4EQ, KSC493Q3R, SCHEMBL977135, CTK3J3838, KS-00000FPV, DTXSID90375618, AMKVZJOQZLIOSL-UHFFFAOYSA-N, WT173, ACT00551, ZINC4290341, ZX-AP003787, 3-CYANO-2-FLUOROBROMOBENZENE, ANW-37739, BBL103246, CL8183, FCH932882, MFCD06657980, PC6975, RW3552, SBB064491, STL557056, AKOS005254807, AC-4031, AM62113, AS02374, CB-1968, CM12965, CS-W004852, DS-1656, HCH0021198, MCULE-6970548209, PS-8217, QC-1868, RTC-020308, 3-Bromo-2-fluorobenzonitrile, AldrichCPR, AJ-50324, AN-12368, BBV-38373002, BC002809, BR-43039, CJ-11891, EN001168, SC-47552, SY012003, 3-bromanyl-2-fluoranyl-benzenecarbonitrile, AB0030550, AX8115860, DB-006362, TC-020308, 4CH-002444, FT-0080334, FT-0600938, ST24028427, ST51042195, X2754, 840481-82-5 3-bromo-2-fluorobenzonitrile, MFCD06657980 (95%), TL800742136, C-6111, 481B825, A840706, I01-4972, Z2740003142, C7H3BrFN, 2-Fluoro-3-bromobenzonitrile, ZINC04290341, ACN-050381, CID2761200, C2436, A10114, 59907-12-9,

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	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P312-P330-P501
UN Code	UN 3439

Certificate of Analysis

Lot Number