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Home > Bromides > 1215077-78-3
1215077-78-3 | Benzene, 1-bromo-3-(butylsulfonyl)-
CAS No: 1215077-78-3 Catalog No: AG00153Z MDL No:MFCD21332952
Product Description
Catalog Number:
AG00153Z
Chemical Name:
Benzene, 1-bromo-3-(butylsulfonyl)-
CAS Number:
1215077-78-3
Molecular Formula:
C10H13BrO2S
Molecular Weight:
277.1780
MDL Number:
MFCD21332952
IUPAC Name:
1-bromo-3-butylsulfonylbenzene
InChI:
InChI=1S/C10H13BrO2S/c1-2-3-7-14(12,13)10-6-4-5-9(11)8-10/h4-6,8H,2-3,7H2,1H3
InChI Key:
RLIMMHFTKGAENL-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)c1cccc(c1)Br
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.982g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.176g/mol
Monoisotopic Mass:
275.982g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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