AG003H1Q

118-91-2 | 2-Chlorobenzoic acid

AG003H1Q

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CAS Number	118-91-2
Catalog Number	AG003H1Q(AGN-PC-088NI1)
Chemical Name	2-Chlorobenzoic acid
IUPAC Name	2-chlorobenzoic acid
InChI	InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChI Key	IKCLCGXPQILATA-UHFFFAOYSA-N
MDL Number	MFCD00002412
Molecular Formula	C7H5ClO2
Molecular Weight	156.5664
SMILES	O=C(O)C1=CC=CC=C1Cl
UNII	8P0867193V
Synonyms	2-chlorobenzoate, 2-chlorobenzoic acid, 2-chlorobenzoic acid, copper (2+) salt, 2-chlorobenzoic acid, nickel (2+) salt, 2-chlorobenzoic acid, potassium salt, 2-Chlorobenzoic acid, 118-91-2, O-CHLOROBENZOIC ACID, Benzoic acid, 2-chloro-, 2-Cba, Benzoic acid, o-chloro-, Kyselina o-chlorbenzoova, CHLOROBENZOIC ACID, OCBA, Benzoic acid, chloro-, 2-chloro-benzoic acid, Kyselina o-chlorbenzoova [Czech], CCRIS 5993, HSDB 6017, UNII-8P0867193V, EINECS 204-285-4, MFCD00002412, NSC 15042, BRN 0907340, 2-Chlorobenzoic acid, 98%, AI3-03714, CHEBI:30793, IKCLCGXPQILATA-UHFFFAOYSA-N, chlorobenzoate, WLN: QVR BG, 8P0867193V, 2-ChlorobenzoicAcid, Benzoic acid,chloro-, PubChem22283, ortho-chlorobenzoic acid, DSSTox_CID_4771, SCHEMBL367, bmse000332, AC1L1QV5, AC1Q5U8U, oO-CHLOROBENZOIC ACID, DSSTox_RID_77524, NCIOpen2_004799, DSSTox_GSID_24771, KSC175I7T, AC1Q728P, CHEMBL115243, RARECHEM AL BO 0021, DTXSID4024771, CTK0H5479, KS-00000CMO, TIMTEC-BB SBB040524, ZINC330133, CS-B1789, NSC15042, NSC32737, AKOS BBS-00003732, Tox21_200286, ANW-17253, LABOTEST-BB LT00784851, LABOTEST-BB LT03330966, LS-607, NSC-15042, NSC-32737, SBB040524, STK301675, AKOS000119016, AM86361, AS00802, LS10675, MCULE-1696137032, NE10193, PS-5349, RL00733, RP22061, RTR-003210, TRA0064536, NCGC00090894-01, NCGC00090894-02, NCGC00257840-01, 2-Chlorobenzoic acid, analytical standard, 26264-09-5, AJ-19288, AN-22793, CAS-118-91-2, SC-79680, AB1002141, DB-024373, ST2416803, TR-003210, FT-0611913, ST45061443, C02357, 31505-EP2270114A1, 31505-EP2308858A1, 31505-EP2311816A1, 31505-EP2311817A1, AB-131/40168737, Mesalamine Impurity L (Mefenamic Acid Impurity C), I01-1954, Q-200261, 2-Chlorobenzoic acid, Vetec(TM) reagent grade, 98%, Z57127537, F9995-1661, InChI=1/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10, null, 2-Chlorobenzoate, Mesalazine Impurity L, Acide o-chlorobenzoique, O-Chloro-Benzoic Acid, Acide chloro-2 benzoque, Acide chloro-o-benzoique, C7H5ClO2, C7-H5-Cl-O2, CID8374, EINECS 247-558-3, AR-1K8746, c0133, c0726, CS-T-11216, 2-Chlorobenzoic acid, 98% - 100G 100g, 4-27-00-07875 (Beilstein Handbook Reference), 2-Chlorobenzoic Acid 98% for synthesis 500gm, 64838-03-5,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.998g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	156.565g/mol
Monoisotopic Mass	155.998g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H315-H335
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number