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88374-24-7 | 2-Pyrrolidinemethanol, 1-(5-chloro-2,4-dinitrophenyl)-
CAS No: 88374-24-7 Catalog No: AG004FS5 MDL No:
Product Description
Catalog Number:
AG004FS5
Chemical Name:
2-Pyrrolidinemethanol, 1-(5-chloro-2,4-dinitrophenyl)-
CAS Number:
88374-24-7
Molecular Formula:
C11H12ClN3O5
Molecular Weight:
301.6831
IUPAC Name:
[1-(5-chloro-2,4-dinitrophenyl)pyrrolidin-2-yl]methanol
InChI:
InChI=1S/C11H12ClN3O5/c12-8-4-10(13-3-1-2-7(13)6-16)11(15(19)20)5-9(8)14(17)18/h4-5,7,16H,1-3,6H2
InChI Key:
RTRRFAKGCJLMIX-UHFFFAOYSA-N
SMILES:
OCC1CCCN1c1cc(Cl)c(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.683g/mol
Monoisotopic Mass:
301.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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