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Home > Bromides > 1263377-50-9
1263377-50-9 | 2-Bromo-3-methylbenzene-1-thiol
CAS No: 1263377-50-9 Catalog No: AG01F714 MDL No:MFCD18089310
Product Description
Catalog Number:
AG01F714
Chemical Name:
2-Bromo-3-methylbenzene-1-thiol
CAS Number:
1263377-50-9
Molecular Formula:
C7H7BrS
Molecular Weight:
203.0995
MDL Number:
MFCD18089310
IUPAC Name:
2-bromo-3-methylbenzenethiol
InChI:
InChI=1S/C7H7BrS/c1-5-3-2-4-6(9)7(5)8/h2-4,9H,1H3
InChI Key:
MLZXIPKHWMGBMD-UHFFFAOYSA-N
SMILES:
Brc1c(C)cccc1S
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.945g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.097g/mol
Monoisotopic Mass:
201.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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