AG005K6P

79406-57-8 | 1-(3-Amino-4-chlorophenyl)ethan-1-one

AG005K6P

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CAS Number	79406-57-8
Catalog Number	AG005K6P(AGN-PC-0KKYTB)
Chemical Name	1-(3-Amino-4-chlorophenyl)ethan-1-one
IUPAC Name	1-(3-amino-4-chlorophenyl)ethanone
InChI	InChI=1S/C8H8ClNO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3
InChI Key	CELXPDXOZXEXJX-UHFFFAOYSA-N
MDL Number	MFCD00122619
Molecular Formula	C8H8ClNO
Molecular Weight	169.6082
SMILES	CC(C1=CC=C(Cl)C(N)=C1)=O
Synonyms	79406-57-8, 1-(3-Amino-4-chlorophenyl)ethan-1-one, 1-(3-amino-4-chlorophenyl)ethanone, 3-Amino-4-chloroacetophenone, 3'-Amino-4'-chloroacetophenone, Ethanone, 1-(3-amino-4-chlorophenyl)-, 1-acetyl-3-amino-4-chlorobenzene, MFCD00122619, ACMC-1BIWA, AC1MCT1H, AC1Q1JQF, 3-amino-4-chloro-acetophenone, SCHEMBL7105778, CTK5E6762, DTXSID70380866, CELXPDXOZXEXJX-UHFFFAOYSA-N, ZINC160824, ACT06967, KS-00000LS6, ANW-37294, SBB055484, STL370545, AKOS016000262, AS05249, CA-1685, CM11123, MCULE-9468663759, NE26135, PS-4376, Ethanone,1-(3-amino-4-chlorophenyl)-, 1-(3-azanyl-4-chloranyl-phenyl)ethanone, AC-28638, AJ-15638, AK-45178, CJ-01947, SC-89422, ZB007431, ST2414972, TC-126039, FT-0690643, V7793, 1-(3-Amino-4-chlorophenyl)ethanone, AldrichCPR, A839675, C8H8ClNO, ZINC00160824, CID2778325,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.029g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.608g/mol
Monoisotopic Mass	169.029g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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