AG0011WZ

136496-72-5 | Benzoic acid, 4-borono-2-chloro-

AG0011WZ

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CAS Number	136496-72-5
Catalog Number	AG0011WZ(AGN-PC-002YID)
Chemical Name	Benzoic acid, 4-borono-2-chloro-
IUPAC Name	4-borono-2-chlorobenzoic acid
InChI	InChI=1S/C7H6BClO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H,10,11)
InChI Key	QFAFGWXQNDYXPZ-UHFFFAOYSA-N
MDL Number	MFCD06656268
Molecular Formula	C7H6BClO4
Molecular Weight	200.3841
SMILES	OB(c1ccc(c(c1)Cl)C(=O)O)O
Synonyms	136496-72-5, 4-carboxy-3-chlorophenylboronic acid, 3-Chloro-4-carboxyphenylboronic acid, 4-borono-2-chlorobenzoic acid, 4-CARBOXY-3-CHLOROBENZENEBORONIC ACID, MFCD06656268, AK-45938, 4-Carboxy-3-chlorobenzeneboronicacid, PubChem5134, 4-Carboxy-3-, akos brn-0544, ACMC-1CUK9, KSC174K1D, SCHEMBL396220, 4-borono-2-chloro-benzoic acid, CTK0H4511, KS-00000NES, DTXSID40565183, QFAFGWXQNDYXPZ-UHFFFAOYSA-N, BM594, ZXBA000457, Benzoic acid, 4-borono-2-chloro-, ACT11020, ZX-AT005700, ANW-20039, CC-955, OR1929, SBB063867, 5-carboxy-3-chlorophenyl boronic acid, AKOS000285080, ZINC169744935, AB25493, CS-W000840, FCH1325677, LS11000, PS-9622, RL01619, RP25803, RTR-004883, TRA0029514, VB10130, (4-carboxy-3-chloro)benzeneboronic acid, AN-31985, BC221871, BR-45938, CC-18099, N282, SC-90491, 2-chloro-4-(dihydroxyboranyl)benzoic acid, 4-carboxy-3-chlorobenzeneboronic acid 98%, AB0015675, AB1004750, AX8008271, DB-010561, ST2405016, TL8000849, TR-004883, 4CH-001218, A2929, FT-0643254, B-3176, ref dupl: 4-carboxy-3-chlorophenylboronic acid, 3-Chloro-4-carboxyphenylboronic acid, AldrichCPR, 496C725, C-09526, I01-3133, J-514868, 4-Borono-2-chlorobenzoic acid; 4-Carboxy-3-chlorophenylboronic acid, chlorophenylboronic acid, C7H6BClO4, cc-503, ACN-032627, C2523, 4-Carboxy-3-chlorophenylboronic acid, 97% - 1G 1g,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.005g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	200.381g/mol
Monoisotopic Mass	200.005g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number