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14395-55-2 | 2-Bromo-4-tert-butylbenzenethiol
CAS No: 14395-55-2 Catalog No: AG01FEP4 MDL No:MFCD12026173
Product Description
Catalog Number:
AG01FEP4
Chemical Name:
2-Bromo-4-tert-butylbenzenethiol
CAS Number:
14395-55-2
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
MDL Number:
MFCD12026173
IUPAC Name:
2-bromo-4-tert-butylbenzenethiol
InChI:
InChI=1S/C10H13BrS/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3
InChI Key:
RDGNFARYBQWIFB-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1Br)C(C)(C)C
Properties
Complexity:
150
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:
1
Isotope Atom Count:
0
Molecular Weight:
245.178g/mol
Monoisotopic Mass:
243.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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