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99902-04-2 | Thiophene, 3-[2-(bromomethyl)phenyl]-
CAS No: 99902-04-2 Catalog No: AG003W0O MDL No:
Product Description
Catalog Number:
AG003W0O
Chemical Name:
Thiophene, 3-[2-(bromomethyl)phenyl]-
CAS Number:
99902-04-2
Molecular Formula:
C11H9BrS
Molecular Weight:
253.1582
IUPAC Name:
3-[2-(bromomethyl)phenyl]thiophene
InChI:
InChI=1S/C11H9BrS/c12-7-9-3-1-2-4-11(9)10-5-6-13-8-10/h1-6,8H,7H2
InChI Key:
SVUXJVHXXDRYLH-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1c1ccsc1
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:
3.8
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