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Home > Bromides > 1805580-26-0
1805580-26-0 | 3-Pyridinecarbonitrile, 2-bromo-6-methoxy-
CAS No: 1805580-26-0 Catalog No: AG00223F MDL No:MFCD27922756
Product Description
Catalog Number:
AG00223F
Chemical Name:
3-Pyridinecarbonitrile, 2-bromo-6-methoxy-
CAS Number:
1805580-26-0
Molecular Formula:
C7H5BrN2O
Molecular Weight:
213.0314
MDL Number:
MFCD27922756
IUPAC Name:
2-bromo-6-methoxypyridine-3-carbonitrile
InChI:
InChI=1S/C7H5BrN2O/c1-11-6-3-2-5(4-9)7(8)10-6/h2-3H,1H3
InChI Key:
CCJWWICFJRKWQJ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(n1)Br)C#N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.959g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.034g/mol
Monoisotopic Mass:
211.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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