AG002JDN

20797-48-2 | 2-Propenoic acid, 3-(4-chloro-3-nitrophenyl)-

AG002JDN

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CAS Number	20797-48-2
Catalog Number	AG002JDN(AGN-PC-0JTTWD)
Chemical Name	2-Propenoic acid, 3-(4-chloro-3-nitrophenyl)-
IUPAC Name	(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H6ClNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1-5H,(H,12,13)/b4-2+
InChI Key	QBDALTIMHOITIU-DUXPYHPUSA-N
MDL Number	MFCD00063311
Molecular Formula	C9H6ClNO4
Molecular Weight	227.6012
SMILES	OC(=O)C=CC1=CC(=C(Cl)C=C1)[N+]([O-])=O
Synonyms	4-Chloro-3-nitrocinnamic acid, 20797-48-2, trans-4-Chloro-3-nitrocinnamic acid, 3-(4-Chloro-3-nitrophenyl)acrylic acid, (e)-3-(4-chloro-3-nitrophenyl)acrylic acid, (2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoic acid, QBDALTIMHOITIU-DUXPYHPUSA-N, MFCD00063311, (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoic acid, 3-(4-chloro-3-nitrophenyl)prop-2-enoic acid, AC1LELCU, AC1Q71FQ, SCHEMBL832790, SCHEMBL832791, 3-Nitro-4-chlorocinnamic acid, 4-chloro-3-nitro-cinnamic acid, QBDALTIMHOITIU-DUXPYHPUSA-, ZINC56679, ACT13063, ZX-AT005809, OR1365, SBB003306, STK053601, AKOS000288883, QC-1355, RTR-009768, AC-26151, AJ-09359, MS-10585, SC-39372, 3-(4-Chloro-3-nitrophenyl)propenoic acid, AX8007273, TR-009768, trans-4-Chloro-3-nitrocinnamic acid, 97%, AM20030319, ST24041459, ST50306848, Z3453, (2E)-3-(4-chloro-3-nitrophenyl)acrylic acid, A-8619, I14-6662, J-013633, (2E)-3-(4-Chloro-3-nitrophenyl)-2-propenoic acid #, 2-Propenoic acid, 3-(4-chloro-3-nitrophenyl)-, (2E)-, InChI=1/C9H6ClNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1-5H,(H,12,13)/b4-2+, C9H6ClNO4, c1205, CID688108, trans-4-Chloro-3-nitrocinnamic acid, 97% - 100G 100g, 199679-38-4,

Complexity	286
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	226.999g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.6g/mol
Monoisotopic Mass	226.999g/mol
Rotatable Bond Count	2
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
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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