Home Bromides 1131594-24-5
1131594-24-5,MFCD11110891
Catalog No.:AA003IZK
1131594-24-5 | 3-Bromo-4-morpholinobenzoic acid
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Technical Information
Catalog Number:
AA003IZK
Chemical Name:
3-Bromo-4-morpholinobenzoic acid
CAS Number:
1131594-24-5
Molecular Formula:
C11H12BrNO3
Molecular Weight:
286.1219
MDL Number:
MFCD11110891
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
SMILES:
Brc1cc(ccc1N1CCOCC1)C(=O)O
Properties
Computed Properties
 
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  

Synonyms
 
3-bromo-4-morpholinobenzoic acid 
1131594-24-5 
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 
3-Bromo-4-morpholinobenzoicAcid 
TC-307398 
FT-0739519 
Z-3873 
MFCD11110891 (97+%) 
3-Bromo-4-(4-morpholinyl)benzoic acid, AldrichCPR 
null 
108612-54-0 
CTK5I6340 
KS-00000CFG 
DTXSID20662381 
MFCD11110891 
ZINC39951914 
AKOS015856086 
TRA0003856 
Literature
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