AG00II5T

944317-92-4 | 1-Bromo-4-fluoro-5-isopropyl-2-methoxybenzene

AG00II5T

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CAS Number	944317-92-4
Catalog Number	AG00II5T(AGN-PC-0WA4H5)
Chemical Name	1-Bromo-4-fluoro-5-isopropyl-2-methoxybenzene
IUPAC Name	1-bromo-4-fluoro-2-methoxy-5-propan-2-ylbenzene
InChI	InChI=1S/C10H12BrFO/c1-6(2)7-4-8(11)10(13-3)5-9(7)12/h4-6H,1-3H3
InChI Key	CPPYOHQHPFTBON-UHFFFAOYSA-N
MDL Number	MFCD15528104
Molecular Formula	C10H12BrFO
Molecular Weight	247.1041
SMILES	COC1=CC(F)=C(C(C)C)C=C1Br
Synonyms	1-BROMO-4-FLUORO-5-ISOPROPYL-2-METHOXYBENZENE, 944317-92-4, 1-BROMO-4-FLUORO-2-METHOXY-5-(PROPAN-2-YL)BENZENE, 2-Bromo-4-isopropyl-5-fluoroanisole, AK171873, BENZENE, 1-BROMO-4-FLUORO-2-METHOXY-5-(1-METHYLETHYL)-, SCHEMBL904264, DTXSID70725415, CPPYOHQHPFTBON-UHFFFAOYSA-N, KS-000008EK, MFCD15528104, ZINC95627661, AKOS025291311, DS-7661, FCH1391221, PB11150, QC-4127, BC005250, DA-00502, CS-0006991, FT-0720301, C-8375, 1-bromo-4-fluoro-2-methoxy-5-propan-2-ylbenzene, 1-BROMO-4-FLUORO-2-METHOXY-5-(1-METHYLETHYL)-BENZENE, ACN-045544,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.006g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.107g/mol
Monoisotopic Mass	246.006g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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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