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17231-51-5 | 3-Amino-6-bromopyrazine-2-carbonitrile
CAS No: 17231-51-5 Catalog No: AG003IWW MDL No:MFCD06658300
Product Description
Catalog Number:
AG003IWW
Chemical Name:
3-Amino-6-bromopyrazine-2-carbonitrile
CAS Number:
17231-51-5
Molecular Formula:
C5H3BrN4
Molecular Weight:
199.0081
MDL Number:
MFCD06658300
IUPAC Name:
3-amino-6-bromopyrazine-2-carbonitrile
InChI:
InChI=1S/C5H3BrN4/c6-4-2-9-5(8)3(1-7)10-4/h2H,(H2,8,9)
InChI Key:
XXCFWGIRIFRPER-UHFFFAOYSA-N
SMILES:
N#Cc1nc(Br)cnc1N
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.011g/mol
Monoisotopic Mass:
197.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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