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279262-21-4 | 5-Bromo-2-propoxybenzonitrile
CAS No: 279262-21-4 Catalog No: AG003MHX MDL No:MFCD02257401
Product Description
Catalog Number:
AG003MHX
Chemical Name:
5-Bromo-2-propoxybenzonitrile
CAS Number:
279262-21-4
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
MDL Number:
MFCD02257401
IUPAC Name:
5-bromo-2-propoxybenzonitrile
InChI:
InChI=1S/C10H10BrNO/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h3-4,6H,2,5H2,1H3
InChI Key:
JSDHBNHQZRXINT-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1C#N)Br
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:
3.2
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