AG00342S

60577-30-2 | 4-Iodo-2-methylphenol

AG00342S

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CAS Number	60577-30-2
Catalog Number	AG00342S(AGN-PC-0JMTG0)
Chemical Name	4-Iodo-2-methylphenol
IUPAC Name	4-iodo-2-methylphenol
InChI	InChI=1S/C7H7IO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChI Key	WSBDSSKIWDFOBQ-UHFFFAOYSA-N
MDL Number	MFCD00075092
Molecular Formula	C7H7IO
Molecular Weight	234.0343
SMILES	OC1=CC=C(I)C=C1C
Synonyms	4-Iodo-2-methylphenol, 60577-30-2, Phenol, 4-iodo-2-methyl-, 2-methyl-4-iodophenol, 4-iodo-2-methyl-phenol, Phenol,4-iodo-2-methyl-, WSBDSSKIWDFOBQ-UHFFFAOYSA-N, 4-Iodo-o-cresol, 4-iodo-2-cresol, 2-hydroxy-5-iodotoluene, Phenol, 2-methyl-4-iodo, 4-iodanyl-2-methyl-phenol, AC1L3NR9, AC1Q2IR7, ACMC-1B5B2, SCHEMBL172779, 4-Iodo-2-methylphenol, 97%, CTK5B1771, DTXSID00209379, ZINC389598, 9048AB, AKOS005259802, AJ-20860, AK112972, ZB011780, DB-053663, TX-012056, FT-0640703, ST24029131, Z-8148, A832796, I14-50682, InChI=1/C7H7IO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H, C7H7IO, CID143713,

Complexity	94.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.954g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.036g/mol
Monoisotopic Mass	233.954g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number