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Home > Bromides > 1248980-51-9

1248980-51-9

1248980-51-9 | Benzene, 1-bromo-2-[(propylthio)methyl]-

CAS No: 1248980-51-9 Catalog No: AG000MUT MDL No:MFCD14644611

Product Description

Catalog Number:
AG000MUT
Chemical Name:
Benzene, 1-bromo-2-[(propylthio)methyl]-
CAS Number:
1248980-51-9
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
MDL Number:
MFCD14644611
IUPAC Name:
1-bromo-2-(propylsulfanylmethyl)benzene
InChI:
InChI=1S/C10H13BrS/c1-2-7-12-8-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3
InChI Key:
OLCUZCFMPXOVMU-UHFFFAOYSA-N
SMILES:
CCCSCc1ccccc1Br

Properties

Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.992g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.178g/mol
Monoisotopic Mass:
243.992g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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