AG001B0U

13943-33-4 | Methanol, 1-iodo-, 1-benzoate

AG001B0U

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CAS Number	13943-33-4
Catalog Number	AG001B0U(AGN-PC-0JD0PO)
Chemical Name	Methanol, 1-iodo-, 1-benzoate
IUPAC Name	iodomethyl benzoate
InChI	InChI=1S/C8H7IO2/c9-6-11-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key	KCQMUFYIGUHOMQ-UHFFFAOYSA-N
MDL Number	MFCD27944521
Molecular Formula	C8H7IO2
Molecular Weight	262.0445
SMILES	C(C1=CC=CC=C1)(=O)OCI
Synonyms	Iodomethyl Benzoate, 13943-33-4, Methanol, 1-iodo-, 1-benzoate, SCHEMBL18145, Benzoic acid iodomethyl ester, KCQMUFYIGUHOMQ-UHFFFAOYSA-N, MFCD27944521, ZINC112955722, CS-12058, SY036475, MFCD27944521 (95%), benzoic acid,iodomethanol, CID10015543,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.949g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	262.046g/mol
Monoisotopic Mass	261.949g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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