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182287-58-7 | Benzonitrile, 4-(bromomethyl)-3-ethoxy-
CAS No: 182287-58-7 Catalog No: AG0023KK MDL No:
Product Description
Catalog Number:
AG0023KK
Chemical Name:
Benzonitrile, 4-(bromomethyl)-3-ethoxy-
CAS Number:
182287-58-7
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
IUPAC Name:
4-(bromomethyl)-3-ethoxybenzonitrile
InChI:
InChI=1S/C10H10BrNO/c1-2-13-10-5-8(7-12)3-4-9(10)6-11/h3-5H,2,6H2,1H3
InChI Key:
VRGXZANLEIXZDV-UHFFFAOYSA-N
SMILES:
CCOc1cc(C#N)ccc1CBr
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.1g/mol
Monoisotopic Mass:
238.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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