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Home > Nitro Compounds > 75938-95-3
75938-95-3 | 4-NITROBUTANOYL CHLORIDE
CAS No: 75938-95-3 Catalog No: AG005H2M MDL No:
Product Description
Catalog Number:
AG005H2M
Chemical Name:
4-NITROBUTANOYL CHLORIDE
CAS Number:
75938-95-3
Molecular Formula:
C4H6ClNO3
Molecular Weight:
151.5483
IUPAC Name:
4-nitrobutanoyl chloride
InChI:
InChI=1S/C4H6ClNO3/c5-4(7)2-1-3-6(8)9/h1-3H2
InChI Key:
PBGKSVMZQVGCID-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCCC(=O)Cl
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.004g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.546g/mol
Monoisotopic Mass:
151.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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