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1150271-16-1 | Benzenemethanamine, N-(2-bromo-4-nitrophenyl)-4-methoxy-
CAS No: 1150271-16-1 Catalog No: AG000FP8 MDL No:MFCD12026040
Product Description
Catalog Number:
AG000FP8
Chemical Name:
Benzenemethanamine, N-(2-bromo-4-nitrophenyl)-4-methoxy-
CAS Number:
1150271-16-1
Molecular Formula:
C14H13BrN2O3
Molecular Weight:
337.1686
MDL Number:
MFCD12026040
IUPAC Name:
2-bromo-N-[(4-methoxyphenyl)methyl]-4-nitroaniline
InChI:
InChI=1S/C14H13BrN2O3/c1-20-12-5-2-10(3-6-12)9-16-14-7-4-11(17(18)19)8-13(14)15/h2-8,16H,9H2,1H3
InChI Key:
BMWOBECNFSIFRM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNc1ccc(cc1Br)[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.011g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.173g/mol
Monoisotopic Mass:
336.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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