AG00EKCC

6326-42-7 | 2-Iodo-4-nitro-benzoic acid Methyl ester

AG00EKCC

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CAS Number	6326-42-7
Catalog Number	AG00EKCC(AGN-PC-0JOABY)
Chemical Name	2-Iodo-4-nitro-benzoic acid Methyl ester
IUPAC Name	methyl 2-iodo-4-nitrobenzoate
InChI	InChI=1S/C8H6INO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3
InChI Key	KRAIRAIRCFXHRZ-UHFFFAOYSA-N
MDL Number	MFCD00277928
Molecular Formula	C8H6INO4
Molecular Weight	307.0420
NSC Number	30634
SMILES	O=C(OC)C1=CC=C([N+]([O-])=O)C=C1I
Synonyms	methyl 2-iodo-4-nitrobenzoate, 6326-42-7, 2-Iodo-4-nitro-benzoic acid methyl ester, Benzoic acid, 2-iodo-4-nitro-, methyl ester, NSC30634, AC1L5OKF, AC1Q5Z8Q, SCHEMBL1026910, CTK5B8371, DTXSID50283240, KRAIRAIRCFXHRZ-UHFFFAOYSA-N, ZINC1661208, MFCD00277928, NSC-30634, AKOS025287038, ACN-051188, AS-47775, SC-97640, Z-9278, AR-1J4808, CID232745, 70776-29-3,

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	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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