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100398-04-7 | Benzene, 1-(bromomethyl)-4-[(4-nitrophenyl)sulfonyl]-
CAS No: 100398-04-7 Catalog No: AG0001W1 MDL No:
Product Description
Catalog Number:
AG0001W1
Chemical Name:
Benzene, 1-(bromomethyl)-4-[(4-nitrophenyl)sulfonyl]-
CAS Number:
100398-04-7
Molecular Formula:
C13H10BrNO4S
Molecular Weight:
356.1918
IUPAC Name:
1-(bromomethyl)-4-(4-nitrophenyl)sulfonylbenzene
InChI:
InChI=1S/C13H10BrNO4S/c14-9-10-1-5-12(6-2-10)20(18,19)13-7-3-11(4-8-13)15(16)17/h1-8H,9H2
InChI Key:
BOCHNTFSFIEKPM-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.951g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.19g/mol
Monoisotopic Mass:
354.951g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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