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147300-16-1 | Benzonitrile, 4-[[(4-bromophenyl)imino]methyl]-
CAS No: 147300-16-1 Catalog No: AG001ERZ MDL No:
Product Description
Catalog Number:
AG001ERZ
Chemical Name:
Benzonitrile, 4-[[(4-bromophenyl)imino]methyl]-
CAS Number:
147300-16-1
Molecular Formula:
C14H9BrN2
Molecular Weight:
285.1387
IUPAC Name:
4-[(4-bromophenyl)iminomethyl]benzonitrile
InChI:
InChI=1S/C14H9BrN2/c15-13-5-7-14(8-6-13)17-10-12-3-1-11(9-16)2-4-12/h1-8,10H
InChI Key:
NTQLGAMAYGGBLZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C=Nc1ccc(cc1)Br
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.995g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.144g/mol
Monoisotopic Mass:
283.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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