AG003354

22061-78-5 | 2-Bromo-3-methyl-phenol

AG003354

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CAS Number	22061-78-5
Catalog Number	AG003354(AGN-PC-0JNZ17)
Chemical Name	2-Bromo-3-methyl-phenol
IUPAC Name	2-bromo-3-methylphenol
InChI	InChI=1S/C7H7BrO/c1-5-3-2-4-6(9)7(5)8/h2-4,9H,1H3
InChI Key	HUGNLEZLTOVJLD-UHFFFAOYSA-N
MDL Number	MFCD09991797
Molecular Formula	C7H7BrO
Molecular Weight	187.0339
NSC Number	100895
SMILES	Oc1cccc(c1Br)C
Synonyms	2-bromo-3-methylphenol, 22061-78-5, 2-bromo-3-methyl-Phenol, Phenol, 2-bromo-3-methyl-, Brom-m-kresol, NSC100895, ACMC-209frh, 2-Bromo-3-hydroxytoluene, AC1L6D7G, AC1Q25GS, NCIOpen2_001879, KSC207I1R, SCHEMBL2046791, CTK1A7418, DTXSID10295268, HUGNLEZLTOVJLD-UHFFFAOYSA-N, ZINC1662481, ANW-24699, CL8460, MFCD09991797, SBB054201, AKOS006310392, AM82854, CS-W004719, GS-3791, MB08359, NSC-100895, RP24694, RTC-062626, KS-000001L9, AC-22656, AJ-28935, AK-86289, CJ-06017, SC-70601, SY067392, AB0023484, ST2416538, TC-062626, 4CH-015016, FT-0708281, W4552, MFCD09991797 (95%), L-1116, J-014456, J-523926, Z2798559912, C7H7BrO, AR-1D9469, CID265090, ACN-044774, 2217-54-1,

Complexity	94.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.968g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.036g/mol
Monoisotopic Mass	185.968g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number