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Home > Nitro Compounds > 1420843-73-7
1420843-73-7 | 3-Pyrrolidinemethanol, 1-(5-nitro-2-benzothiazolyl)-
CAS No: 1420843-73-7 Catalog No: AG001HQH MDL No:MFCD24369828
Product Description
Catalog Number:
AG001HQH
Chemical Name:
3-Pyrrolidinemethanol, 1-(5-nitro-2-benzothiazolyl)-
CAS Number:
1420843-73-7
Molecular Formula:
C12H13N3O3S
Molecular Weight:
279.3149
MDL Number:
MFCD24369828
IUPAC Name:
[1-(5-nitro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methanol
InChI:
InChI=1S/C12H13N3O3S/c16-7-8-3-4-14(6-8)12-13-10-5-9(15(17)18)1-2-11(10)19-12/h1-2,5,8,16H,3-4,6-7H2
InChI Key:
AFFJDZIZIFLLER-UHFFFAOYSA-N
SMILES:
OCC1CCN(C1)c1nc2c(s1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.314g/mol
Monoisotopic Mass:
279.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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