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147404-72-6 | [1,1'-Biphenyl]-2-carboxamide, 4'-(bromomethyl)-
CAS No: 147404-72-6 Catalog No: AG001EVQ MDL No:
Product Description
Catalog Number:
AG001EVQ
Chemical Name:
[1,1'-Biphenyl]-2-carboxamide, 4'-(bromomethyl)-
CAS Number:
147404-72-6
Molecular Formula:
C14H12BrNO
Molecular Weight:
290.1552
IUPAC Name:
2-[4-(bromomethyl)phenyl]benzamide
InChI:
InChI=1S/C14H12BrNO/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14(16)17/h1-8H,9H2,(H2,16,17)
InChI Key:
POWXVFIRWRUILN-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)c1ccccc1C(=O)N
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.01g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.16g/mol
Monoisotopic Mass:
289.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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