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204513-31-5 | 2-Thiazolemethanol, 4-bromo-
CAS No: 204513-31-5 Catalog No: AG0029K4 MDL No:MFCD09746337
Product Description
Catalog Number:
AG0029K4
Chemical Name:
2-Thiazolemethanol, 4-bromo-
CAS Number:
204513-31-5
Molecular Formula:
C4H4BrNOS
Molecular Weight:
194.0497
MDL Number:
MFCD09746337
IUPAC Name:
(4-bromo-1,3-thiazol-2-yl)methanol
InChI:
InChI=1S/C4H4BrNOS/c5-3-2-8-4(1-7)6-3/h2,7H,1H2
InChI Key:
FLYOCGYCIHPZRF-UHFFFAOYSA-N
SMILES:
OCc1nc(cs1)Br
Properties
Complexity:
82.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.92g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.046g/mol
Monoisotopic Mass:
192.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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