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29171-72-0 | Benzoyl chloride, 4-[(dipropylamino)sulfonyl]-
CAS No: 29171-72-0 Catalog No: AG002XL2 MDL No:MFCD00121817
Product Description
Catalog Number:
AG002XL2
Chemical Name:
Benzoyl chloride, 4-[(dipropylamino)sulfonyl]-
CAS Number:
29171-72-0
Molecular Formula:
C13H18ClNO3S
Molecular Weight:
303.8049
MDL Number:
MFCD00121817
IUPAC Name:
4-(dipropylsulfamoyl)benzoyl chloride
InChI:
InChI=1S/C13H18ClNO3S/c1-3-9-15(10-4-2)19(17,18)12-7-5-11(6-8-12)13(14)16/h5-8H,3-4,9-10H2,1-2H3
InChI Key:
LCQXGFTXKWEWQC-UHFFFAOYSA-N
SMILES:
CCCN(S(=O)(=O)c1ccc(cc1)C(=O)Cl)CCC
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.801g/mol
Monoisotopic Mass:
303.07g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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