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142044-78-8 | 1H-Pyrrole-2-carbonitrile, 1-[4-(bromomethyl)phenyl]-
CAS No: 142044-78-8 Catalog No: AG001HMT MDL No:
Product Description
Catalog Number:
AG001HMT
Chemical Name:
1H-Pyrrole-2-carbonitrile, 1-[4-(bromomethyl)phenyl]-
CAS Number:
142044-78-8
Molecular Formula:
C12H9BrN2
Molecular Weight:
261.1173
IUPAC Name:
1-[4-(bromomethyl)phenyl]pyrrole-2-carbonitrile
InChI:
InChI=1S/C12H9BrN2/c13-8-10-3-5-11(6-4-10)15-7-1-2-12(15)9-14/h1-7H,8H2
InChI Key:
MNDDCROBALRCRO-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)n1cccc1C#N
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.995g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.122g/mol
Monoisotopic Mass:
259.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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