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135883-40-8 | 1-Bromo-3-t-butylthiobenzene
CAS No: 135883-40-8 Catalog No: AG003E4G MDL No:MFCD12756460
Product Description
Catalog Number:
AG003E4G
Chemical Name:
1-Bromo-3-t-butylthiobenzene
CAS Number:
135883-40-8
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
MDL Number:
MFCD12756460
IUPAC Name:
1-bromo-3-tert-butylsulfanylbenzene
InChI:
InChI=1S/C10H13BrS/c1-10(2,3)12-9-6-4-5-8(11)7-9/h4-7H,1-3H3
InChI Key:
HBUYMJXPWBBKMC-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)SC(C)(C)C
Properties
Complexity:
139
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:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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