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Home > Nitro Compounds > 863497-39-6
863497-39-6 | N-(1-methoxypropan-2-yl)-4-nitroaniline
CAS No: 863497-39-6 Catalog No: AG01AXJD MDL No:MFCD11123017
Product Description
Catalog Number:
AG01AXJD
Chemical Name:
N-(1-methoxypropan-2-yl)-4-nitroaniline
CAS Number:
863497-39-6
Molecular Formula:
C10H14N2O3
Molecular Weight:
210.2298
MDL Number:
MFCD11123017
IUPAC Name:
N-(1-methoxypropan-2-yl)-4-nitroaniline
InChI:
InChI=1S/C10H14N2O3/c1-8(7-15-2)11-9-3-5-10(6-4-9)12(13)14/h3-6,8,11H,7H2,1-2H3
InChI Key:
CGKXVRSFGQJDNK-UHFFFAOYSA-N
SMILES:
COCC(Nc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.233g/mol
Monoisotopic Mass:
210.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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