AG0033VT

5465-65-6 | 1-(4-Chloro-3-nitrophenyl)ethanone

AG0033VT

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CAS Number	5465-65-6
Catalog Number	AG0033VT(AGN-PC-0JLS43)
Chemical Name	1-(4-Chloro-3-nitrophenyl)ethanone
EC Number	226-769-4
IUPAC Name	1-(4-chloro-3-nitrophenyl)ethanone
InChI	InChI=1S/C8H6ClNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3
InChI Key	YEVPHFIFGUWSMG-UHFFFAOYSA-N
MDL Number	MFCD00007083
Molecular Formula	C8H6ClNO3
Molecular Weight	199.5911
NSC Number	25820
SMILES	ClC1=C(C=C(C=C1)C(C)=O)[N+](=O)[O-]
UNII	GKV85F2ZXL
Synonyms	4'-Chloro-3'-nitroacetophenone, 5465-65-6, 1-(4-Chloro-3-nitrophenyl)ethanone, 4-Chloro-3-nitroacetophenone, Ethanone, 1-(4-chloro-3-nitrophenyl)-, 1-(4-CHLORO-3-NITROPHENYL)ETHAN-1-ONE, UNII-GKV85F2ZXL, Acetophenone, 4'-chloro-3'-nitro-, EINECS 226-769-4, MFCD00007083, GKV85F2ZXL, 4-chloro-3'-nitroacetophenone, 3'-nitro-4'-chloro acetophenone, YEVPHFIFGUWSMG-UHFFFAOYSA-N, 4-CHLORO-3-NITRO ACETOPHENONE, 1-acetyl-4-chloro-3-nitrobenzene, 1-{4-chloro-3-nitrophenyl}ethanone, NSC25820, PubChem1915, ACMC-209lia, AC1Q5AMU, AC1L2XQ9, 3-nitro-4-chloroacetophenone, 4-Chloro-3-nitriacetophenone, 2-chloro-5-acetylnitrobenzene, SCHEMBL239454, PARAGOS 440051, RARECHEM AK HB 0025, DTXSID0022228, CTK5I2548, YEVPHFIFGUWSMG-UHFFFAOYSA-, ZINC155344, 4\'-Chloro-3\'-nitroacetophenone, ACT08115, KS-00000C4K, STR00550, ANW-32144, NSC-25820, SBB063561, STK359212, 1-(4-chloro-3-nitro-phenyl)ethanone, AKOS000119814, AC-3636, AM62027, AS04028, MCULE-3813956874, TRA0082723, VZ27333, 1-(4-Chloro-3-nitrophenyl)ethanone #, 4'-Chloro-3'-nitroacetophenone, 99%, 1-(4-chloro-3-nitrophenyl)-1-ethanone, AJ-13547, AN-12766, CJ-01423, Q286, SC-05246, SY018284, ZB006026, AB1002464, DB-052625, LS-184948, TC-120889, A7932, FT-0618077, ST24037328, ST50827016, Z-4437, MFCD00007083 (97+%), AH-034/32829032, I01-2149, 4 inverted exclamation mark -Chloro-3 inverted exclamation mark -nitroacetophenone, InChI=1/C8H6ClNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3, null, C8H6ClNO3, C8-H6-Cl-N-O3, KST-1B5641, 4/'-Chloro-3/'-nitroacetophenone, CID79596, AR-1B1802, CS-2021, C2321, 564-12-5,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.004g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.59g/mol
Monoisotopic Mass	199.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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