AG003LW6

104-03-0 | 4-Nitrophenylacetic Acid

AG003LW6

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CAS Number	104-03-0
Catalog Number	AG003LW6(AGN-PC-0077SJ)
Chemical Name	4-Nitrophenylacetic Acid
EC Number	203-168-5
IUPAC Name	2-(4-nitrophenyl)acetic acid
InChI	InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
InChI Key	YBADLXQNJCMBKR-UHFFFAOYSA-N
MDL Number	MFCD00007383
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
NSC Number	5398
SMILES	O=C(O)CC1=CC=C([N+]([O-])=O)C=C1
UNII	KLB4P626RE
Synonyms	2-(4-nitrophenoxy)acetic acid, 4-nitrobenzeneacetic acid, 4-nitrophenylacetic acid, 4-Nitrophenylacetic acid, 104-03-0, 2-(4-NITROPHENYL)ACETIC ACID, p-nitrophenylacetic acid, (4-Nitrophenyl)acetic acid, 4-Nitrobenzeneacetic acid, Benzeneacetic acid, 4-nitro-, 2-(p-Nitrophenyl)acetic acid, 4-nitrophenylacetate, 4-nitrophenylaceticacid, Acetic acid, (p-nitrophenyl)-, UNII-KLB4P626RE, (p-Nitrophenyl)acetic acid, CCRIS 2338, NSC 5398, EINECS 203-168-5, 4-nitrophenyl acetic acid, [4-Nitrophenyl]acetic acid, KLB4P626RE, (4-Nitro-phenyl)-acetic acid, AI3-15093, YBADLXQNJCMBKR-UHFFFAOYSA-N, MFCD00007383, 4-Nitrophenylacetic acid, 99%, 1ajn, AAN, PubChem19749, AC1Q5VIE, 4-Nitrophenylacetate acid, 4-Nitrobenzencacetic Acid, AC1L1IO4, (p-nitrophenyl) acetic acid, 4-nitro-Benzeneacetic acid,, ACMC-1C4B0, Benzeneaceticacid, 4-nitro-, (4-nitrophenyl)-acetic acid, Oprea1_127303, SCHEMBL76204, KSC179A4T, AC1Q74X7, Jsp000407, DTXSID6059289, SCHEMBL13941612, CHEBI:40443, CTK0H9049, KS-00000CAH, NSC5398, BDBM237235, HMS3604G17, ZINC154582, CS-D1370, NSC-5398, STR00634, ANW-15014, BBL012452, CCG-41548, SBB056678, STK054869, AKOS000104752, AC-2513, AS04437, DB07331, MCULE-2593918770, RP24225, RTR-033285, TRA0020466, AJ-13316, AK-41234, AN-13882, LS-12616, SC-15614, SY001731, AB1003357, ST2411581, TR-033285, AM20060474, BB 0244245, FT-0619270, N0227, ST50406181, MFCD00007383 (98%), M-6096, 4-Nitrophenylacetic acid, ReagentPlus(R), 99%, AE-641/02392058, I01-1442, SR-01000631614-1, W-108829, 4-Nitrophenylacetic acid, Vetec(TM) reagent grade, 98%, F2191-0048, InChI=1/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11, null, 4-nitrophenyleddikesyre, 2-(4-Nitrophenoxy)acetic acid, p-nitro-alpha-toluic acid, (P-Nitrophenyl)Aceticacid, C8H7NO4, CID4661, C8-H7-N-O4, AR-1G4120, 4-Nitrophenylacetic acid, 99% - 100G 100g, C118008, 830-03-5, 10471-28-0, 110-64-5,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number