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1314987-29-5 | Benzenamine, 2-bromo-4-[(4-methoxyphenyl)methyl]-6-nitro-
CAS No: 1314987-29-5 Catalog No: AG000WBX MDL No:MFCD19684094
Product Description
Catalog Number:
AG000WBX
Chemical Name:
Benzenamine, 2-bromo-4-[(4-methoxyphenyl)methyl]-6-nitro-
CAS Number:
1314987-29-5
Molecular Formula:
C14H13BrN2O3
Molecular Weight:
337.1686
MDL Number:
MFCD19684094
IUPAC Name:
2-bromo-4-[(4-methoxyphenyl)methyl]-6-nitroaniline
InChI:
InChI=1S/C14H13BrN2O3/c1-20-11-4-2-9(3-5-11)6-10-7-12(15)14(16)13(8-10)17(18)19/h2-5,7-8H,6,16H2,1H3
InChI Key:
QZORVWPTRBWLPT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cc1cc(Br)c(c(c1)[N+](=O)[O-])N
Properties
Complexity:
329
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:
3
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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