AG003MMT

84942-40-5 | 1-(5-Chloro-2-hydroxy-3-nitrophenyl)ethanone

AG003MMT

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CAS Number	84942-40-5
Catalog Number	AG003MMT(AGN-PC-0JUYLG)
Chemical Name	1-(5-Chloro-2-hydroxy-3-nitrophenyl)ethanone
IUPAC Name	1-(5-chloro-2-hydroxy-3-nitrophenyl)ethanone
InChI	InChI=1S/C8H6ClNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3
InChI Key	IUNBIQBAYUBIFD-UHFFFAOYSA-N
MDL Number	MFCD00191921
Molecular Formula	C8H6ClNO4
Molecular Weight	215.5905
SMILES	ClC=1C=C(C(=C(C1)C(C)=O)O)[N+](=O)[O-]
Synonyms	84942-40-5, 5'-Chloro-2'-hydroxy-3'-nitroacetophenone, 1-(5-chloro-2-hydroxy-3-nitrophenyl)ethanone, 2-Acetyl-6-nitro-4-chloro phenol, 2-ACETYL-6-NITRO-4-CHLOROPHENOL, 2-acetyl-4-chloro-6-nitrophenol, MFCD00191921, 5-chloro-3-nitro-2-hydroxyacetophenone, Benzoic acid,5-chloro-2-hydroxy-3-nitro-, Ethanone, 1-(5-chloro-2-hydroxy-3-nitrophenyl)-, 1-acetyl-5-chloro-2-hydroxy-3-nitrobenzene, PubChem3355, 5-chloro-2-hydroxy-3-nitroacetophenone, 5'-chloro-2'-hydroxy, AC1LELN6, timtec-bb sbb005893, 1-(5-chloro-2-hydroxy-3-nitro-phenyl)ethanone, SCHEMBL6577959, 5-chloro-2-hydroxy-3-nitroacet, CTK5D5291, ZINC56938, ACT07548, KS-000017QR, ANW-63081, SBB057713, AKOS000112368, FCH1320073, FS-3932, MCULE-1763390246, VZ29791, AC-11998, AC-12670, AJ-09508, AK-89792, AN-35811, CC-21507, OR345142, AX8022840, DB-056830, TL8005550, TR-026339, 5'-chloro-2'-hydroxy-3'-nitro acetophenone, FT-0641983, ST24021136, ST50331345, 2''-hydroxy-3''-nitro-5''-chloroacetophenone, 5'-Chloro-2'-hydroxy-3'-nitroacetophenone, 99%, A841017, C-11535, 1-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)ethanone, InChI=1/C8H6ClNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H, 5 inverted exclamation marka-Chloro-2 inverted exclamation marka-hydroxy-3 inverted exclamation marka-nitroacetophenone, C8H6ClNO4, 6-Chloro-7-Methylchromanone, cc-325, CID688237, 5 -Chloro-2 -hydroxy-3 -nitroacetophenone, C2973, 7195-78-0,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.999g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.589g/mol
Monoisotopic Mass	214.999g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338-P280a-P304+P340-P405-P501a
UN Code

Certificate of Analysis

Lot Number