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Home > Bromides > 1280786-81-3
1280786-81-3 | Benzene, 1-bromo-3-(cyclopropylthio)-
CAS No: 1280786-81-3 Catalog No: AG000XRH MDL No:MFCD18434448
Product Description
Catalog Number:
AG000XRH
Chemical Name:
Benzene, 1-bromo-3-(cyclopropylthio)-
CAS Number:
1280786-81-3
Molecular Formula:
C9H9BrS
Molecular Weight:
229.1368
MDL Number:
MFCD18434448
IUPAC Name:
1-bromo-3-cyclopropylsulfanylbenzene
InChI:
InChI=1S/C9H9BrS/c10-7-2-1-3-9(6-7)11-8-4-5-8/h1-3,6,8H,4-5H2
InChI Key:
JORAQKMAPMVMTJ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)SC1CC1
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.961g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.135g/mol
Monoisotopic Mass:
227.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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