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2879-83-6 | Benzenemethanamine, N-(4-bromophenyl)-
CAS No: 2879-83-6 Catalog No: AG002WHF MDL No:MFCD01427002
Product Description
Catalog Number:
AG002WHF
Chemical Name:
Benzenemethanamine, N-(4-bromophenyl)-
CAS Number:
2879-83-6
Molecular Formula:
C13H12BrN
Molecular Weight:
262.1451
MDL Number:
MFCD01427002
IUPAC Name:
N-benzyl-4-bromoaniline
InChI:
InChI=1S/C13H12BrN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChI Key:
AZLKZLKCCRFAAE-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NCc1ccccc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.15g/mol
Monoisotopic Mass:
261.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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