AG003LD2

452-85-7 | Phenol, 5-​fluoro-​2-​methyl-

AG003LD2

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CAS Number	452-85-7
Catalog Number	AG003LD2(AGN-PC-0WABEQ)
Chemical Name	Phenol, 5-​fluoro-​2-​methyl-
IUPAC Name	5-fluoro-2-methylphenol
InChI	InChI=1S/C7H7FO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3
InChI Key	CKJOSIHYVLHIER-UHFFFAOYSA-N
MDL Number	MFCD00673009
Molecular Formula	C7H7FO
Molecular Weight	126.1283
SMILES	Oc1c(C)ccc(c1)F
Synonyms	5-Fluoro-2-methylphenol, 452-85-7, 4-Fluoro-2-hydroxytoluene, 5-Fluoro-o-cresol, 5-fluoro-2-methyl-phenol, MFCD00673009, PubChem1502, AC1MCOPM, 2-methyl-5-fluorophenol, ACMC-1AFS5, 5-fluoranyl-2-methyl-phenol, KSC494A2F, SCHEMBL129788, CTK3J4022, DTXSID20379129, CKJOSIHYVLHIER-UHFFFAOYSA-N, ACT00338, JRD-1635, ZINC2568100, ANW-30258, BBL100627, CL8510, SBB085644, STL554421, WT1842, 5-Fluoro-2-methylphenol, AldrichCPR, 452-85-7 5-fluoro-2-methylphenol, AKOS005254864, AC-3098, AS00890, CM11764, CS-W011163, LF10241, PS-9181, RTR-017240, TRA0033905, KS-0000099N, AJ-41565, AK-47653, AN-13343, BP-10225, BR-47653, N523, SC-04632, AB0015845, TR-017240, A1710, AM20060356, F0632, FT-0620403, ST24029477, Q-7569, A826761, I01-2413, C7H7FO, MOLI001964, ACN-055764, CID2774616, 5-Fluoro-2-methylphenol, 98% - 1G 1g,

Complexity	94.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.048g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.13g/mol
Monoisotopic Mass	126.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P309-P310
Signal Words	warning
UN Code	UN 3265

Certificate of Analysis

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