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173999-20-7 | Acetamide, N-[(5-bromo-3-pyridinyl)methyl]-
CAS No: 173999-20-7 Catalog No: AG001ZCW MDL No:
Product Description
Catalog Number:
AG001ZCW
Chemical Name:
Acetamide, N-[(5-bromo-3-pyridinyl)methyl]-
CAS Number:
173999-20-7
Molecular Formula:
C8H9BrN2O
Molecular Weight:
229.0739
IUPAC Name:
N-[(5-bromopyridin-3-yl)methyl]acetamide
InChI:
InChI=1S/C8H9BrN2O/c1-6(12)11-4-7-2-8(9)5-10-3-7/h2-3,5H,4H2,1H3,(H,11,12)
InChI Key:
NBLUICQRJCMCOX-UHFFFAOYSA-N
SMILES:
CC(=O)NCc1cncc(c1)Br
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.99g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.077g/mol
Monoisotopic Mass:
227.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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