AG003HB3

500912-17-4 | 2-(Bromomethyl)-1-fluoro-3-methoxybenzene

AG003HB3

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CAS Number	500912-17-4
Catalog Number	AG003HB3(AGN-PC-0KKZHJ)
Chemical Name	2-(Bromomethyl)-1-fluoro-3-methoxybenzene
IUPAC Name	2-(bromomethyl)-1-fluoro-3-methoxybenzene
InChI	InChI=1S/C8H8BrFO/c1-11-8-4-2-3-7(10)6(8)5-9/h2-4H,5H2,1H3
InChI Key	PVKFBCBTHHTDEX-UHFFFAOYSA-N
MDL Number	MFCD08688579
Molecular Formula	C8H8BrFO
Molecular Weight	219.0509
SMILES	COC1=C(CBr)C(F)=CC=C1
Synonyms	2-Fluoro-6-methoxybenzyl bromide, 500912-17-4, 2-(bromomethyl)-1-fluoro-3-methoxybenzene, MFCD08688579, AC1MCVA6, SCHEMBL696401, CTK4J2130, 2-(Bromomethyl)-3-fluoroanisole, DTXSID40381385, PVKFBCBTHHTDEX-UHFFFAOYSA-N, 2-fluoro-6-methoxy-benzyl bromide, ANW-66755, BBL103842, SBB095697, STL557652, ZINC12359151, AKOS005257862, AM82934, AJ-61386, AS-46346, QC-11453, RT-007797, 2-(Bromomethyl)-3-fluorophenyl methyl ether, 2-Fluoro-6-methoxybenzyl bromide, AldrichCPR, Benzene,2-(bromomethyl)-1-fluoro-3-methoxy-, 2-(bromomethyl)-1-fluoranyl-3-methoxy-benzene, X-4084, A827971, 2-FLUORO-6-METHOXYBENZYLALCOHOL, CID2779322, 2-(bromomethyl)-1-fluoro-3-methoxy-benzene,

Complexity	121
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.974g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	219.053g/mol
Monoisotopic Mass	217.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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