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180530-15-8 | Acetamide, N-(5-bromo-2-pyrimidinyl)-
CAS No: 180530-15-8 Catalog No: AG002236 MDL No:MFCD12546524
Product Description
Catalog Number:
AG002236
Chemical Name:
Acetamide, N-(5-bromo-2-pyrimidinyl)-
CAS Number:
180530-15-8
Molecular Formula:
C6H6BrN3O
Molecular Weight:
216.0353
MDL Number:
MFCD12546524
IUPAC Name:
N-(5-bromopyrimidin-2-yl)acetamide
InChI:
InChI=1S/C6H6BrN3O/c1-4(11)10-6-8-2-5(7)3-9-6/h2-3H,1H3,(H,8,9,10,11)
InChI Key:
LKFUSWVVQGECDI-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ncc(cn1)Br
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.969g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.038g/mol
Monoisotopic Mass:
214.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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