AG0016VA

1221715-80-5 | Benzenemethanol, 3-bromo-2-fluoro-α-methyl-

AG0016VA

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CAS Number	1221715-80-5
Catalog Number	AG0016VA(AGN-PC-0WANM1)
Chemical Name	Benzenemethanol, 3-bromo-2-fluoro-α-methyl-
IUPAC Name	1-(3-bromo-2-fluorophenyl)ethanol
InChI	InChI=1S/C8H8BrFO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5,11H,1H3
InChI Key	QFVPIDFXSBXICP-UHFFFAOYSA-N
MDL Number	MFCD16140247
Molecular Formula	C8H8BrFO
Molecular Weight	219.0509
SMILES	c1(cccc(c1F)Br)C(C)O
Synonyms	1-(3-Bromo-2-fluorophenyl)ethanol, 1221715-80-5, 1-(3-bromo-2-fluoro-phenyl)ethanol, MFCD16140247, 1-(3-Bromo-2-fluorophenyl)ethan-1-ol, 3-Bromo-2-fluoro-alpha-methylbenzenemethanol, DTXSID20703905, AKOS015969291, LS11305, KS-00000Z02, AM808027, ST2403136, 4CH-000494, Benzenemethanol, 3-bromo-2-fluoro-alpha-methyl-, ACN-046582,

Complexity	131
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	1
Isotope Atom Count	0
Molecular Weight	219.053g/mol
Monoisotopic Mass	217.974g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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