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70260-05-8 | (4-Bromothiophen-3-yl);methanol
CAS No: 70260-05-8 Catalog No: AG005KFN MDL No:MFCD01859831
Product Description
Catalog Number:
AG005KFN
Chemical Name:
(4-Bromothiophen-3-yl);methanol
CAS Number:
70260-05-8
Molecular Formula:
C5H5BrOS
Molecular Weight:
193.0616
MDL Number:
MFCD01859831
IUPAC Name:
(4-bromothiophen-3-yl)methanol
InChI:
InChI=1S/C5H5BrOS/c6-5-3-8-2-4(5)1-7/h2-3,7H,1H2
InChI Key:
MPKBPMYJCDNVEF-UHFFFAOYSA-N
SMILES:
OCc1cscc1Br
Properties
Complexity:
78.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.924g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.058g/mol
Monoisotopic Mass:
191.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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