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1255574-69-6 | Benzenamine, 4-bromo-2-nitro-5-(phenylmethoxy)-
CAS No: 1255574-69-6 Catalog No: AG000NV1 MDL No:MFCD17214241
Product Description
Catalog Number:
AG000NV1
Chemical Name:
Benzenamine, 4-bromo-2-nitro-5-(phenylmethoxy)-
CAS Number:
1255574-69-6
Molecular Formula:
C13H11BrN2O3
Molecular Weight:
323.1420
MDL Number:
MFCD17214241
IUPAC Name:
4-bromo-2-nitro-5-phenylmethoxyaniline
InChI:
InChI=1S/C13H11BrN2O3/c14-10-6-12(16(17)18)11(15)7-13(10)19-8-9-4-2-1-3-5-9/h1-7H,8,15H2
InChI Key:
DGOWGMXDNNTWKK-UHFFFAOYSA-N
SMILES:
Brc1cc([N+](=O)[O-])c(cc1OCc1ccccc1)N
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.995g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.146g/mol
Monoisotopic Mass:
321.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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