AG003J2C

1131594-24-5 | 3-Bromo-4-morpholinobenzoic Acid

AG003J2C

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CAS Number	1131594-24-5
Catalog Number	AG003J2C(AGN-PC-07A791)
Chemical Name	3-Bromo-4-morpholinobenzoic Acid
IUPAC Name	3-bromo-4-morpholin-4-ylbenzoic acid
InChI	InChI=1S/C11H12BrNO3/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	XPMSVZSWUDDSAW-UHFFFAOYSA-N
MDL Number	MFCD11110891
Molecular Formula	C11H12BrNO3
Molecular Weight	286.1219
SMILES	O=C(O)C1=CC=C(N2CCOCC2)C(Br)=C1
Synonyms	3-bromo-4-morpholinobenzoic acid, 1131594-24-5, 3-Bromo-4-morpholinobenzoicAcid, CTK5I6340, KS-00000CFG, DTXSID20662381, MFCD11110891, ZINC39951914, AKOS015856086, TRA0003856, 3-bromo-4-(4-morpholinyl)Benzoic acid, 3-Bromo-4-(morpholin-4-yl)benzoic acid, AS-31539, SY004883, AB0051427, AB1000258, AJ-100994, AX8173664, DB-014501, TC-067260, TC-307398, FT-0739519, Z-3873, MFCD11110891 (97+%), 3-Bromo-4-(4-morpholinyl)benzoic acid, AldrichCPR, null, 108612-54-0,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	285g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	286.125g/mol
Monoisotopic Mass	285g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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

Lot Number