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72054-56-9 | 4-(2-Bromoethyl);benzonitrile
CAS No: 72054-56-9 Catalog No: AG005DBI MDL No:MFCD12025077
Product Description
Catalog Number:
AG005DBI
Chemical Name:
4-(2-Bromoethyl);benzonitrile
CAS Number:
72054-56-9
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD12025077
IUPAC Name:
4-(2-bromoethyl)benzonitrile
InChI:
InChI=1S/C9H8BrN/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5-6H2
InChI Key:
NNNRGWOWXNCGCV-UHFFFAOYSA-N
SMILES:
BrCCc1ccc(cc1)C#N
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.074g/mol
Monoisotopic Mass:
208.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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