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89891-70-3 | 2-Bromo-4-formylbenzonitrile
CAS No: 89891-70-3 Catalog No: AG003GOF MDL No:MFCD09261041
Product Description
Catalog Number:
AG003GOF
Chemical Name:
2-Bromo-4-formylbenzonitrile
CAS Number:
89891-70-3
Molecular Formula:
C8H4BrNO
Molecular Weight:
210.0275
MDL Number:
MFCD09261041
IUPAC Name:
2-bromo-4-formylbenzonitrile
InChI:
InChI=1S/C8H4BrNO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,5H
InChI Key:
UTYYRLJAFLKUTL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Br)C#N
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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