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Home > Bromides > 1891994-61-8
1891994-61-8 | Benzonitrile, 3-bromo-2,4-dimethoxy-
CAS No: 1891994-61-8 Catalog No: AG002I19 MDL No:
Product Description
Catalog Number:
AG002I19
Chemical Name:
Benzonitrile, 3-bromo-2,4-dimethoxy-
CAS Number:
1891994-61-8
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
IUPAC Name:
3-bromo-2,4-dimethoxybenzonitrile
InChI:
InChI=1S/C9H8BrNO2/c1-12-7-4-3-6(5-11)9(13-2)8(7)10/h3-4H,1-2H3
InChI Key:
POIHJVLHCRGRQW-UHFFFAOYSA-N
SMILES:
COc1c(C#N)ccc(c1Br)OC
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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