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1255574-52-7 | Benzenamine, 4-bromo-2-nitro-5-(pentyloxy)-
CAS No: 1255574-52-7 Catalog No: AG000NUA MDL No:MFCD17214238
Product Description
Catalog Number:
AG000NUA
Chemical Name:
Benzenamine, 4-bromo-2-nitro-5-(pentyloxy)-
CAS Number:
1255574-52-7
Molecular Formula:
C11H15BrN2O3
Molecular Weight:
303.1524
MDL Number:
MFCD17214238
IUPAC Name:
4-bromo-2-nitro-5-pentoxyaniline
InChI:
InChI=1S/C11H15BrN2O3/c1-2-3-4-5-17-11-7-9(13)10(14(15)16)6-8(11)12/h6-7H,2-5,13H2,1H3
InChI Key:
OHZWPVYCXDSWFZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(cc1N)OCCCCC
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.027g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.156g/mol
Monoisotopic Mass:
302.027g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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