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777825-22-6 | Benzenethiol, 2-(aminomethyl)-3-fluoro- (9CI)
CAS No: 777825-22-6 Catalog No: AG005FZP MDL No:MFCD18825689
Product Description
Catalog Number:
AG005FZP
Chemical Name:
Benzenethiol, 2-(aminomethyl)-3-fluoro- (9CI)
CAS Number:
777825-22-6
Molecular Formula:
C7H8FNS
Molecular Weight:
157.2085
MDL Number:
MFCD18825689
IUPAC Name:
2-(aminomethyl)-3-fluorobenzenethiol
InChI:
InChI=1S/C7H8FNS/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H,4,9H2
InChI Key:
HTDICBQZCYADDO-UHFFFAOYSA-N
SMILES:
NCc1c(F)cccc1S
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.036g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.206g/mol
Monoisotopic Mass:
157.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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