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Home > Bromides > 1000576-47-5
1000576-47-5 | Benzene, 1-bromo-3-[(cyclopropylmethyl)thio]-
CAS No: 1000576-47-5 Catalog No: AG0000R2 MDL No:MFCD09870070
Product Description
Catalog Number:
AG0000R2
Chemical Name:
Benzene, 1-bromo-3-[(cyclopropylmethyl)thio]-
CAS Number:
1000576-47-5
Molecular Formula:
C10H11BrS
Molecular Weight:
243.1633
MDL Number:
MFCD09870070
IUPAC Name:
1-bromo-3-(cyclopropylmethylsulfanyl)benzene
InChI:
InChI=1S/C10H11BrS/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8H,4-5,7H2
InChI Key:
BIDNDPBMKWOGQG-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)SCC1CC1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.976g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.162g/mol
Monoisotopic Mass:
241.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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