AG003RO8

112239-00-6 | METHYL 2-IODO-5-NITROBENZOATE

AG003RO8

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CAS Number	112239-00-6
Catalog Number	AG003RO8(AGN-PC-008NQH)
Chemical Name	METHYL 2-IODO-5-NITROBENZOATE
IUPAC Name	methyl 2-iodo-5-nitrobenzoate
InChI	InChI=1S/C8H6INO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3
InChI Key	INEMMZILZDRYJK-UHFFFAOYSA-N
MDL Number	MFCD12172544
Molecular Formula	C8H6INO4
Molecular Weight	307.0420
SMILES	O=C(OC)C1=CC([N+]([O-])=O)=CC=C1I
Synonyms	METHYL 2-IODO-5-NITROBENZOATE, 112239-00-6, Methyl 2-iodo-5-nitro-benzoate, ACMC-2099dj, SCHEMBL5713274, CTK0G1555, DTXSID30465224, INEMMZILZDRYJK-UHFFFAOYSA-N, ANW-16421, MFCD12172544, ZINC35322461, AKOS009471095, 2-Iodo-5-nitrobenzoic acid methyl ester, 2-Iodo-5-nitro-benzoic acid methyl ester, AJ-91250, AS-44472, CJ-18729, TR-034075, ST24025243, Z7372, Benzoic acid, 2-iodo-5-nitro-, methyl ester, A-4949, I01-11772, C8H6INO4, Methyl2-iodo-5-nitrobenzoate, CID11415548,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.934g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	307.043g/mol
Monoisotopic Mass	306.934g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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