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Home > Nitro Compounds > 1881321-64-7
1881321-64-7 | 3-methyl-5-nitrothiophene-2-carbonitrile
CAS No: 1881321-64-7 Catalog No: AG00I2EA MDL No:
Product Description
Catalog Number:
AG00I2EA
Chemical Name:
3-methyl-5-nitrothiophene-2-carbonitrile
CAS Number:
1881321-64-7
IUPAC Name:
3-methyl-5-nitrothiophene-2-carbonitrile
InChI:
InChI=1S/C6H4N2O2S/c1-4-2-6(8(9)10)11-5(4)3-7/h2H,1H3
InChI Key:
NCNUYCDICIQZIB-UHFFFAOYSA-N
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.17g/mol
Monoisotopic Mass:
167.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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