AG003CW8

900175-01-1 | 1-(3-Bromo-4-fluorophenyl)ethanol

AG003CW8

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CAS Number	900175-01-1
Catalog Number	AG003CW8(AGN-PC-02ZOBP)
Chemical Name	1-(3-Bromo-4-fluorophenyl)ethanol
IUPAC Name	1-(3-bromo-4-fluorophenyl)ethanol
InChI	InChI=1S/C8H8BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,11H,1H3
InChI Key	TWIOVUXOLMANJU-UHFFFAOYSA-N
MDL Number	MFCD12147617
Molecular Formula	C8H8BrFO
Molecular Weight	219.0509
SMILES	CC(O)C1=CC(Br)=C(F)C=C1
Synonyms	1-(3-BROMO-4-FLUOROPHENYL)ETHANOL, 900175-01-1, (S)-1-(3-Bromo-4-fluorophenyl)ethanol, (R)-1-(3-Bromo-4-fluorophenyl)ethanol, 929884-46-8, 1-(3-BROMO-4-FLUOROPHENYL)ETHAN-1-OL, SCHEMBL2850794, CTK6A4765, TWIOVUXOLMANJU-UHFFFAOYSA-N, 1-(3-Bromo4-fluorophenyl)ethanol, 4966AC, MFCD12147617, AKOS009115838, KS-000008X0, TRA-0204938, AS-32042, SY005066, TC-306545, FT-0758192, Z-3903, MFCD12147617 (97+%), J-501725, J-501761, (AlphaR)-3-bromo-4-fluoro-alpha-methylbenzenemethanol, (AlphaS)-3-bromo-4-fluoro-alpha-methylbenzenemethanol, C8H8BrFO, 3-bromo-4-fluoro-2-methylBenzenemethanol, 1212136-05-4, 1207254-23-6,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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