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64403-55-0 | Naphth[1,2-d]oxazole-5-sulfonyl chloride, 2-phenyl-
CAS No: 64403-55-0 Catalog No: AG00H7LZ MDL No:
Product Description
Catalog Number:
AG00H7LZ
Chemical Name:
Naphth[1,2-d]oxazole-5-sulfonyl chloride, 2-phenyl-
CAS Number:
64403-55-0
Molecular Formula:
C17H10ClNO3S
Molecular Weight:
343.7842
IUPAC Name:
2-phenylbenzo[e][1,3]benzoxazole-5-sulfonyl chloride
InChI:
InChI=1S/C17H10ClNO3S/c18-23(20,21)15-10-14-16(13-9-5-4-8-12(13)15)19-17(22-14)11-6-2-1-3-7-11/h1-10H
InChI Key:
IWKMQTRODPKAPU-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1cc2oc(nc2c2c1cccc2)c1ccccc1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.007g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.781g/mol
Monoisotopic Mass:
343.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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