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Home > Nitro Compounds > 1881320-45-1
1881320-45-1 | 1,5-dimethyl-3-nitro-1H-pyrrole-2-carbonitrile
CAS No: 1881320-45-1 Catalog No: AG00I2BO MDL No:
Product Description
Catalog Number:
AG00I2BO
Chemical Name:
1,5-dimethyl-3-nitro-1H-pyrrole-2-carbonitrile
CAS Number:
1881320-45-1
IUPAC Name:
1,5-dimethyl-3-nitropyrrole-2-carbonitrile
InChI:
InChI=1S/C7H7N3O2/c1-5-3-6(10(11)12)7(4-8)9(5)2/h3H,1-2H3
InChI Key:
FYBBNIQIJUSXFZ-UHFFFAOYSA-N
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.152g/mol
Monoisotopic Mass:
165.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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