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1305317-30-9 | 3-Pyridinamine, 4-bromo-2-nitro-
CAS No: 1305317-30-9 Catalog No: AG000ULB MDL No:MFCD27998290
Product Description
Catalog Number:
AG000ULB
Chemical Name:
3-Pyridinamine, 4-bromo-2-nitro-
CAS Number:
1305317-30-9
Molecular Formula:
C5H4BrN3O2
Molecular Weight:
218.0082
MDL Number:
MFCD27998290
IUPAC Name:
4-bromo-2-nitropyridin-3-amine
InChI:
InChI=1S/C5H4BrN3O2/c6-3-1-2-8-5(4(3)7)9(10)11/h1-2H,7H2
InChI Key:
CCDDSQWYJJNCGY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nccc(c1N)Br
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.01g/mol
Monoisotopic Mass:
216.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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