AG00D827

437707-51-2 | 4-Amino-3-bromo-5-iodo-benzoic acid ethyl ester

AG00D827

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CAS Number	437707-51-2
Catalog Number	AG00D827(AGN-PC-0RRZHT)
Chemical Name	4-Amino-3-bromo-5-iodo-benzoic acid ethyl ester
IUPAC Name	ethyl 4-amino-3-bromo-5-iodobenzoate
InChI	InChI=1S/C9H9BrINO2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2,12H2,1H3
InChI Key	AOHVATDJDHOIRV-UHFFFAOYSA-N
MDL Number	MFCD06658437
Molecular Formula	C9H9BrINO2
Molecular Weight	369.9817
SMILES	O=C(OCC)C1=CC(I)=C(N)C(Br)=C1
Synonyms	Ethyl 4-amino-3-bromo-5-iodobenzoate, 437707-51-2, 4-AMINO-3-BROMO-5-IODO-BENZOIC ACID ETHYL ESTER, 4-amino-3-bromo-5-iodobenzoic acid ethyl ester, Benzoic acid,4-amino-3-bromo-5-iodo-, ethyl ester, C9H9BrINO2, CTK4I7721, DTXSID10693482, AB1418, MFCD06658437, ZINC71617698, AKOS015951037, ethyl 5-iodo-3-bromo-4-aminobenzoate, FCH1325982, ACM437707512, AK153779, AS-19199, AB1007707, AJ-118297, AX8028739, BB0255249, DB-070467, BB 0255249, FT-0739844, X5292, ethyl 4-azanyl-3-bromanyl-5-iodanyl-benzoate, K-8916, A826420,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	368.886g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	369.984g/mol
Monoisotopic Mass	368.886g/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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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