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119879-90-2 | Benzenamine, 2-bromo-5-(phenylmethoxy)-
CAS No: 119879-90-2 Catalog No: AG000PTM MDL No:MFCD16038676
Product Description
Catalog Number:
AG000PTM
Chemical Name:
Benzenamine, 2-bromo-5-(phenylmethoxy)-
CAS Number:
119879-90-2
Molecular Formula:
C13H12BrNO
Molecular Weight:
278.1445
MDL Number:
MFCD16038676
IUPAC Name:
2-bromo-5-phenylmethoxyaniline
InChI:
InChI=1S/C13H12BrNO/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2
InChI Key:
RTDSBDMPNWSMTH-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1N)OCc1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.01g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.149g/mol
Monoisotopic Mass:
277.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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