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Home > Aldehydes > 644982-55-8
644982-55-8 | 3-Bromo-5-cyanobenzaldehyde
CAS No: 644982-55-8 Catalog No: AG00364H MDL No:MFCD09261040
Product Description
Catalog Number:
AG00364H
Chemical Name:
3-Bromo-5-cyanobenzaldehyde
CAS Number:
644982-55-8
Molecular Formula:
C8H4BrNO
Molecular Weight:
210.0275
MDL Number:
MFCD09261040
IUPAC Name:
3-bromo-5-formylbenzonitrile
InChI:
InChI=1S/C8H4BrNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,5H
InChI Key:
FKGQJUAOTNPVFD-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C#N)cc(c1)Br
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.948g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.03g/mol
Monoisotopic Mass:
208.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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