AG000B57

114344-67-1 | Benzonitrile, 2-amino-3-iodo-

AG000B57

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CAS Number	114344-67-1
Catalog Number	AG000B57(AGN-PC-001EYH)
Chemical Name	Benzonitrile, 2-amino-3-iodo-
IUPAC Name	2-amino-3-iodobenzonitrile
InChI	InChI=1S/C7H5IN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2
InChI Key	ZEHZEHAGUWIUQV-UHFFFAOYSA-N
MDL Number	MFCD13689143
Molecular Formula	C7H5IN2
Molecular Weight	244.0325
SMILES	N#CC1=CC=CC(I)=C1N
Synonyms	2-amino-3-iodobenzonitrile, 114344-67-1, SCHEMBL1577198, Benzonitrile, 2-amino-3-iodo-, ZINC34295237, AKOS027374604, FCH1328568, MCULE-4213418508, NE44984, CS-0062064, FT-0746609, EN300-112682,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.95g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	244.035g/mol
Monoisotopic Mass	243.95g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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