AG003Q3B

268568-11-2 | Ethyl 2-amino-5-iodobenzoate

AG003Q3B

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CAS Number	268568-11-2
Catalog Number	AG003Q3B(AGN-PC-00JPCT)
Chemical Name	Ethyl 2-amino-5-iodobenzoate
EC Number	608-010-2
IUPAC Name	ethyl 2-amino-5-iodobenzoate
InChI	InChI=1S/C9H10INO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
InChI Key	FPCLHSGOJPEKKE-UHFFFAOYSA-N
MDL Number	MFCD04038940
Molecular Formula	C9H10INO2
Molecular Weight	291.0857
SMILES	CCOC(=O)C1=C(N)C=CC(I)=C1
Synonyms	ETHYL 2-AMINO-5-IODOBENZOATE, 268568-11-2, Ethyl2-amino-5-iodobenzoate, 2-amino-5-iodobenzoic acid ethyl ester, MFCD04038940, 2-AMINO-5-IODO-BENZOIC ACID ETHYL ESTER, ACMC-1CKSM, ethyl 2-amino-5-iodo-benzoate, SCHEMBL5621223, ETHYL 5-IODOANTHRANILATE, CTK1A1727, DTXSID40475798, FPCLHSGOJPEKKE-UHFFFAOYSA-N, ACT08372, ZINC2525548, 2443AB, ANW-59234, CE-081, SBB064987, AKOS009166841, AS02156, PS-3399, RL05738, RTC-067326, KS-00000J81, AJ-37456, AK-41595, AN-29251, AB0068213, DB-024399, TC-067326, A5269, FT-0655845, FT-0656328, ST24030491, 319A252, I01-6589, I14-5614, C9H10INO2, 912575-12-3,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.976g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	291.088g/mol
Monoisotopic Mass	290.976g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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

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