AG0033NR

33697-81-3 | 3-Chloro-4-hydroxyphenylacetic acid

AG0033NR

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CAS Number	33697-81-3
Catalog Number	AG0033NR(AGN-PC-0JLLWA)
Chemical Name	3-Chloro-4-hydroxyphenylacetic acid
EC Number	251-643-0
IUPAC Name	2-(3-chloro-4-hydroxyphenyl)acetic acid
InChI	InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
InChI Key	IYTUKSIOQKTZEG-UHFFFAOYSA-N
MDL Number	MFCD00004349
Molecular Formula	C8H7ClO3
Molecular Weight	186.5924
SMILES	ClC=1C=C(C=CC1O)CC(=O)O
Synonyms	3-chloro-4-hydroxyphenylacetic acid, 3-chloro-4-hydroxyphenylacetic acid, monosodium salt, 3-Chloro-4-hydroxyphenylacetic acid, 33697-81-3, 2-(3-chloro-4-hydroxyphenyl)acetic acid, (3-Chloro-4-hydroxyphenyl)acetic acid, 4-Hcpa, 3-Chloro-4-hydroxybenzeneacetic acid, 4-Hydroxy-3-chlorophenylacetic acid, VUFB9649, Benzeneacetic acid, 3-chloro-4-hydroxy-, Acetic acid, (3-chloro-4-hydroxyphenyl)-, m-Chloro-p-hydroxyphenylacetic acid, EINECS 251-643-0, Kyselina 3-chlor-4-hydroxyfenyloctova, BRN 2096929, 3-CHLORO-4-HYDROXYPHENYLACETICACID, CHEMBL592010, CHEBI:47106, Kyselina 3-chlor-4-hydroxyfenyloctova [Czech], IYTUKSIOQKTZEG-UHFFFAOYSA-N, 3-Chloro-4-hydroxyphenyl acetic acid, 2-(3-chloro-4-hydroxy-phenyl)acetic acid, 3C4, PubChem12996, 2h6b, ACMC-209i2d, AC1L3N4Q, AC1Q3M6J, AC1Q74WI, 3-10-00-00440 (Beilstein Handbook Reference), SCHEMBL377506, CTK1C2965, DTXSID60187381, 4-(Carboxymethyl)-2-chlorophenol, ZINC407042, 3-chloro-4-hydroxylphenylacetic acid, ANW-27683, BDBM50339588, MFCD00004349, SBB064878, 3-chloro-4-hydroxy-phenylacetic acid, 3-chloro-4-hydroxyphenyl-acetic acid, AKOS015890287, AN-2254, CS-W001146, PS-5822, {3-chloro-4-hydroxy-phenyl)acetic acid, Benzeneaceticacid, 3-chloro-4-hydroxy-, KS-000016J4, (3-Chloro-4-hydroxy-phenyl)-acetic acid, AC-24895, AJ-22576, BC206348, LS-28678, SC-48624, 3-Chloro-4-hydroxyphenylacetic acid, 99%, DB-048474, TC-020060, A5988, FT-0639124, ST24034442, W5540, 3-CHLORO-4-HYDROXY PHENYL ACETIC ACID, K-7753, I01-6189, InChI=1/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12, C8H7ClO3, C8-H7-Cl-O3, VUFB 9649, KST-1A4054, AR-1A4130, c1203, CID118534, C-4140, 3473-90-3, (3aR,5R,6S,6aR)-5-(Hydroxymethyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol, 20031-21-4,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.008g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	186.591g/mol
Monoisotopic Mass	186.008g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

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