AG003J0Q

31804-36-1 | Benzene, 1-​bromo-​3-​methoxy-​2-​methyl-

AG003J0Q

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CAS Number	31804-36-1
Catalog Number	AG003J0Q(AGN-PC-01X5EM)
Chemical Name	Benzene, 1-​bromo-​3-​methoxy-​2-​methyl-
IUPAC Name	1-bromo-3-methoxy-2-methylbenzene
InChI	InChI=1S/C8H9BrO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3
InChI Key	SBMVNLFBEJAXFY-UHFFFAOYSA-N
MDL Number	MFCD11100991
Molecular Formula	C8H9BrO
Molecular Weight	201.0605
SMILES	O(C)c1c(C)c(Br)ccc1
Synonyms	3-Bromo-2-methylanisole, 31804-36-1, 1-bromo-3-methoxy-2-methylbenzene, AK-34653, 6-bromo-2-methoxy-toluene, SCHEMBL4119981, bromo-3-methoxy-2-methylbenzene, CTK4G7766, KS-00000DAT, DTXSID00594252, SBMVNLFBEJAXFY-UHFFFAOYSA-N, ZX-RL000350, 1-bromo-3-methoxy-2-methyl-benzene, ANW-49928, MFCD11100991, ZINC40571717, AKOS015834104, AS06891, CS-W003767, DS-0858, FCH1402360, RP25835, TRA0028879, ACM31804361, BR-34653, DA-06941, OR301007, SC-38350, SY027570, AB0024164, AJ-103710, AX8160072, ST2408712, TR-036466, 4CH-008509, FT-0704450, W5372, S-4936, MFCD11100991 (97+%), J-511881, C8H9BrO,

Complexity	105
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.984g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.063g/mol
Monoisotopic Mass	199.984g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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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