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Home > Nitro Compounds > 609-40-5
609-40-5 | 2-Nitrothiophene
CAS No: 609-40-5 Catalog No: AG0033F1 MDL No:MFCD00005425
Product Description
Catalog Number:
AG0033F1
Chemical Name:
2-Nitrothiophene
CAS Number:
609-40-5
Molecular Formula:
C4H3NO2S
Molecular Weight:
129.1371
MDL Number:
MFCD00005425
IUPAC Name:
2-nitrothiophene
InChI:
InChI=1S/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H
InChI Key:
JIZRGGUCOQKGQD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccs1
EC Number:
210-190-9
NSC Number:
5371
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.988g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.133g/mol
Monoisotopic Mass:
128.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
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