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85553-44-2 | 2-[3-(Bromomethyl)phenyl]thiophene
CAS No: 85553-44-2 Catalog No: AG004R2S MDL No:MFCD08435867
Product Description
Catalog Number:
AG004R2S
Chemical Name:
2-[3-(Bromomethyl)phenyl]thiophene
CAS Number:
85553-44-2
Molecular Formula:
C11H9BrS
Molecular Weight:
253.1582
MDL Number:
MFCD08435867
IUPAC Name:
2-[3-(bromomethyl)phenyl]thiophene
InChI:
InChI=1S/C11H9BrS/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7H,8H2
InChI Key:
JQQDEBDYUAKNGD-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1)c1cccs1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.961g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.157g/mol
Monoisotopic Mass:
251.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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