AG006W81

51411-81-5 | 3-Amino-4-iodobenzoic acid

AG006W81

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CAS Number	51411-81-5
Catalog Number	AG006W81(AGN-PC-00GKMM)
Chemical Name	3-Amino-4-iodobenzoic acid
IUPAC Name	3-amino-4-iodobenzoic acid
InChI	InChI=1S/C7H6INO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
InChI Key	MLHDNXRHJMQUOY-UHFFFAOYSA-N
MDL Number	MFCD07644568
Molecular Formula	C7H6INO2
Molecular Weight	263.0325
SMILES	C(=O)(O)c1cc(N)c(cc1)I
Synonyms	3-AMINO-4-IODOBENZOIC ACID, 51411-81-5, 4-iodo-3-aminobenzoic acid, SCHEMBL433377, KS-00000NGR, DTXSID20473232, MLHDNXRHJMQUOY-UHFFFAOYSA-N, ANW-57008, MFCD07644568, ZINC19721735, AKOS012321975, MCULE-3299295380, NE13682, RP29359, AJ-74413, AK-82318, AS-19203, TC-145753, X5306, Z1359429571, C7H6INO2, 3-amino-4-iodo-benzoic Acid, CID11807503,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.944g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	263.034g/mol
Monoisotopic Mass	262.944g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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