AG003H1D

598-79-8 | 2-Chloroacrylic acid

AG003H1D

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CAS Number	598-79-8
Catalog Number	AG003H1D
Chemical Name	2-Chloroacrylic acid
EC Number	209-953-9
IUPAC Name	2-chloroprop-2-enoic acid
InChI	InChI=1S/C3H3ClO2/c1-2(4)3(5)6/h1H2,(H,5,6)
InChI Key	SZTBMYHIYNGYIA-UHFFFAOYSA-N
MDL Number	MFCD00014336
Molecular Formula	C3H3ClO2
Molecular Weight	106.5077
NSC Number	97174
SMILES	ClC(C(=O)O)=C
Synonyms	2-chloroacrylate, 2-chloroacrylic acid, 2-Chloroacrylic acid, 598-79-8, Chloroacrylic acid, alpha-Chloroacrylic acid, 2-Propenoic acid, 2-chloro-, 2-chloroprop-2-enoic acid, Acrylic acid, 2-chloro-, 2-CHLORO-2-PROPENOIC ACID, EINECS 209-953-9, NSC 97174, 2-CHLOROACRYLICACID, .alpha.-Chloroacrylic acid, BRN 1098503, SZTBMYHIYNGYIA-UHFFFAOYSA-N, MFCD00014336, ACMC-1AQT3, AC1L1Y0F, SCHEMBL66157, DTXSID5060514, CHEBI:73963, CTK3J2727, BCP13841, NSC97174, ZINC1627212, LMFA01090069, NSC-97174, AKOS006227807, AN-46286, LS-14662, DB-053485, RT-000949, FT-0611901, C20609, 598C798, I14-8716, Z1201617183, 2-chloroacrylate, C3H3ClO2, C3-H3-Cl-O2, CID11735, 4-02-00-01482 (Beilstein Handbook Reference),

Complexity	86.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	105.982g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	106.505g/mol
Monoisotopic Mass	105.982g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅱ
Precautionary statements	P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
UN Code	UN 3261

Certificate of Analysis

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