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1131594-24-5 | 3-Bromo-4-morpholinobenzoic acid
CAS No: 1131594-24-5 Catalog No: AG003J2C MDL No:MFCD11110891
Product Description
Catalog Number:
AG003J2C
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
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
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