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77547-10-5 | 4-(MORPHOLINE-4-SULFONYL)-BENZALDEHYDE
CAS No: 77547-10-5 Catalog No: AG00GGQ5 MDL No:MFCD11101102
Product Description
Catalog Number:
AG00GGQ5
Chemical Name:
4-(MORPHOLINE-4-SULFONYL)-BENZALDEHYDE
CAS Number:
77547-10-5
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
MDL Number:
MFCD11101102
IUPAC Name:
4-morpholin-4-ylsulfonylbenzaldehyde
InChI:
InChI=1S/C11H13NO4S/c13-9-10-1-3-11(4-2-10)17(14,15)12-5-7-16-8-6-12/h1-4,9H,5-8H2
InChI Key:
NGHPZJANMYNWNT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)S(=O)(=O)N1CCOCC1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.288g/mol
Monoisotopic Mass:
255.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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