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303139-71-1 | 1-Propanol, 2-[(4-chloro-2-nitrophenyl)amino]-2-methyl-
CAS No: 303139-71-1 Catalog No: AG002ZNL MDL No:MFCD00545944
Product Description
Catalog Number:
AG002ZNL
Chemical Name:
1-Propanol, 2-[(4-chloro-2-nitrophenyl)amino]-2-methyl-
CAS Number:
303139-71-1
Molecular Formula:
C10H13ClN2O3
Molecular Weight:
244.6748
MDL Number:
MFCD00545944
IUPAC Name:
2-(4-chloro-2-nitroanilino)-2-methylpropan-1-ol
InChI:
InChI=1S/C10H13ClN2O3/c1-10(2,6-14)12-8-4-3-7(11)5-9(8)13(15)16/h3-5,12,14H,6H2,1-2H3
InChI Key:
TUJXRTYLPBNKML-UHFFFAOYSA-N
SMILES:
OCC(Nc1ccc(cc1[N+](=O)[O-])Cl)(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.675g/mol
Monoisotopic Mass:
244.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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