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Home > Nitro Compounds > 90178-82-8
90178-82-8 | 3-FORMYL-4-NITROBENZONITRILE
CAS No: 90178-82-8 Catalog No: AG00GX6K MDL No:MFCD10696868
Product Description
Catalog Number:
AG00GX6K
Chemical Name:
3-FORMYL-4-NITROBENZONITRILE
CAS Number:
90178-82-8
Molecular Formula:
C8H4N2O3
Molecular Weight:
176.1290
MDL Number:
MFCD10696868
IUPAC Name:
3-formyl-4-nitrobenzonitrile
InChI:
InChI=1S/C8H4N2O3/c9-4-6-1-2-8(10(12)13)7(3-6)5-11/h1-3,5H
InChI Key:
KVFQELNRGJIUKT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C#N)ccc1[N+](=O)[O-]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.131g/mol
Monoisotopic Mass:
176.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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