AG002AFH

20595-49-7 | 2-Propenoic acid, 3-(2,6-dichlorophenyl)-, (2E)-

AG002AFH

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CAS Number	20595-49-7
Catalog Number	AG002AFH(AGN-PC-0O7K16)
Chemical Name	2-Propenoic acid, 3-(2,6-dichlorophenyl)-, (2E)-
EC Number	226-301-9
IUPAC Name	(E)-3-(2,6-dichlorophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H6Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4+
InChI Key	OIPVGRCXMFBNAN-SNAWJCMRSA-N
MDL Number	MFCD00004374
Molecular Formula	C9H6Cl2O2
Molecular Weight	217.0487
NSC Number	1762
SMILES	O=C(O)/C=C/C1=C(Cl)C=CC=C1Cl
Synonyms	2,6-Dichlorocinnamic acid, 5345-89-1, 3-(2,6-Dichlorophenyl)acrylic acid, (E)-3-(2,6-Dichlorophenyl)acrylic acid, (2e)-3-(2,6-dichlorophenyl)acrylic acid, 2-Propenoic acid, 3-(2,6-dichlorophenyl)-, NSC 1762, EINECS 226-301-9, (2E)-3-(2,6-dichlorophenyl)prop-2-enoic acid, 20595-49-7, 3-(2,6-Dichlorophenyl)-2-propenoic acid, Cinnamic acid, 2,6-dichloro- (6CI,7CI), MFCD00004374, 3-(2,6-DICHLOROPHENYL)PROPENOIC ACID, NSC1762, (E)-3-(2,6-DICHLORO-PHENYL)-ACRYLIC ACID, AC1LE83O, AC1Q3P1K, SCHEMBL909921, 2,6-Dichloro-trans-cinnamic acid, OIPVGRCXMFBNAN-SNAWJCMRSA-N, trans-2,6-dichloro-cinnamic acid, ZINC145548, ALBB-011733, NSC-1762, BBL037342, SBB044034, STK301798, AKOS000200534, NCGC00323243-01, AJ-12531, CC-08035, ST074429, LS-123618, ST2417337, Z3534, EN300-17786, (E)-3-(2,6-dichlorophenyl)prop-2-enoic acid, K-9693, AB01102624-03, AS-871/41736030, (2E)-3-(2,6-Dichlorophenyl)-2-propenoic acid #, I01-7865, 2-propenoic acid, 3-(2,6-dichlorophenyl)-, (2E)-, F3098-3477, InChI=1/C9H6Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4, C9H6Cl2O2, C9-H6-Cl2-O2, 2,6-DICHLOROCINNAMICACID, KST-1A5528, AR-1A2287, CID731762, ACN-042062, Cinnamic acid, 2,6-dichloro-, (E)-, (E)-3-(2,6-Dichlorophenyl)acrylicacid, 53663-32-4,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	215.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.045g/mol
Monoisotopic Mass	215.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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