AG002TSJ

26586-20-9 | Benzoic acid, 3-chloro-4-(4-morpholinyl)-

AG002TSJ

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CAS Number	26586-20-9
Catalog Number	AG002TSJ(AGN-PC-09SGKR)
Chemical Name	Benzoic acid, 3-chloro-4-(4-morpholinyl)-
IUPAC Name	3-chloro-4-morpholin-4-ylbenzoic acid
InChI	InChI=1S/C11H12ClNO3/c12-9-7-8(11(14)15)1-2-10(9)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChI Key	GZDHVZCNDDAJPE-UHFFFAOYSA-N
MDL Number	MFCD13191623
Molecular Formula	C11H12ClNO3
Molecular Weight	241.6709
SMILES	O=C(O)C1=CC=C(N2CCOCC2)C(Cl)=C1
Synonyms	3-chloro-4-morpholinobenzoic acid, 26586-20-9, 3-CHLORO-4-(4-MORPHOLINYL)BENZOIC ACID, SCHEMBL1665694, 3-Chloro-4-morpholinobenzoicAcid, KS-00000CK3, 5848AJ, MFCD13191623, ZINC42684490, AKOS012388236, TRA0100929, ACM26586209, AS-31610, SY006944, AJ-104616, AX8174141, DB-067654, TC-307422, Benzoic acid, 3-chloro-4-(4-morpholinyl)-, FT-0760337, 3-Chloro-4-morpholinobenzoic acid, AldrichCPR, K-6868, MFCD13191623 (97+%), I14-20109, C11H12ClNO3, 54605-72-0,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.051g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.671g/mol
Monoisotopic Mass	241.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330-P501
UN Code

Certificate of Analysis

Lot Number