AG003H2L

10421-85-9 | 2-Chloromandelic acid

AG003H2L

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CAS Number	10421-85-9
Catalog Number	AG003H2L(AGN-PC-0OT2I9)
Chemical Name	2-Chloromandelic acid
EC Number	233-900-9
IUPAC Name	2-(2-chlorophenyl)-2-hydroxyacetic acid
InChI	InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
InChI Key	RWOLDZZTBNYTMS-UHFFFAOYSA-N
MDL Number	MFCD00084962
Molecular Formula	C8H7ClO3
Molecular Weight	186.5924
NSC Number	31401
SMILES	C1=C(C(C(O)=O)O)C(=CC=C1)Cl
Synonyms	2-chloromandelic acid, o-chloromandelic acid, 2-Chloromandelic acid, 10421-85-9, 2-(2-chlorophenyl)-2-hydroxyacetic acid, DL-2-Chloromandelic acid, (2-chlorophenyl)(hydroxy)acetic acid, MFCD00084962, 2-Chloromandelic acid, 98%, DL-2-Chloro mandelic acid, 2-(2-chlorophenyl)-2-hydroxy-acetic acid, (2-Chlorophenyl)glycolic acid, AK-81923, EINECS 233-900-9, 2-ChloromandelicAcid, NSC 31401, 2-chloro-mandelic acid, PubChem15895, AI3-07572, Maybridge3_004881, AC1L3Z3F, AC1Q3P9V, SCHEMBL24733, Jsp000424, CHEMBL1253488, KS-00000CFI, RWOLDZZTBNYTMS-UHFFFAOYSA-N, (2-chlorophenyl)hydroxyacetic acid, HMS1444N19, NSC31401, CCG-51073, NSC-31401, SBB003705, AKOS005265536, AN-4954, CS-W002349, FS-2456, MCULE-4878040751, VZ24423, alpha-Hydroxy-2-chlorobenzeneacetic acid, IDI1_016268, AC-11515, AK-46625, AN-13127, BC202424, BR-46625, SC-12147, SY008252, SY008253, AB0008381, ST2409932, TR-000959, 4CH-006934, AM20060483, Benzeneacetic acid, 2-chloro-alpha-hydroxy-, FT-0604456, ST50405350, 2-(2-chlorophenyl)-2-oxidanyl-ethanoic acid, MFCD00798429 (99%), (+/-)-2-Chloro-alpha-hydroxyphenylacetic acid, 21C859, M-2471, MFCD00798437 (97+%), Racemic 2-hydroxy-2-(2-chlorophenyl)acetic acid, A829322, I04-0019, I04-0020, SR-01000640397-1, W-108819, F8882-4325, C8H7ClO3, (R)-(-)-2-Chloromandelic acid, (S)-(+)-2-Chloromandelic acid, C8-H7-Cl-O3, (+/-)-2-Chloromandelic acid, KST-1A0435, CID97720, AR-1A2229, (S)-2-(2-Chlorophenyl)-2-hydroxyacetic acid, (R)-2-(2-Chlorophenyl)-2-hydroxyacetic acid, 2-Chloromandelic acid, 99% - 100G 100g, 52950-18-2, 52950-19-3, (R)-2-(3-CHLOROPHENYL)-2-HYDROXYACETIC ACID, 104761-72-0,

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	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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