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Home > Nitro Compounds > 148054-43-7
148054-43-7 | Bicyclo[2.2.1]hepta-2,5-diene-2-carbonyl chloride, 3-nitro-
CAS No: 148054-43-7 Catalog No: AG001FEP MDL No:
Product Description
Catalog Number:
AG001FEP
Chemical Name:
Bicyclo[2.2.1]hepta-2,5-diene-2-carbonyl chloride, 3-nitro-
CAS Number:
148054-43-7
Molecular Formula:
C8H6ClNO3
Molecular Weight:
199.5911
IUPAC Name:
3-nitrobicyclo[2.2.1]hepta-2,5-diene-2-carbonyl chloride
InChI:
InChI=1S/C8H6ClNO3/c9-8(11)6-4-1-2-5(3-4)7(6)10(12)13/h1-2,4-5H,3H2
InChI Key:
UGXUWKOKOVKDCH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1=C(C(=O)Cl)C2CC1C=C2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.59g/mol
Monoisotopic Mass:
199.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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