Home Nitriles 3-(1-Bromoethyl)benzonitrile

3-(1-Bromoethyl)benzonitrile

CAS No.:
1096159-01-1
Catalog Number:
AG01B18T
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
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Product Description
Catalog Number:
AG01B18T
Chemical Name:
3-(1-Bromoethyl)benzonitrile
CAS Number:
1096159-01-1
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD19625763
IUPAC Name:
3-(1-bromoethyl)benzonitrile
InChI:
InChI=1S/C9H8BrN/c1-7(10)9-4-2-3-8(5-9)6-11/h2-5,7H,1H3
InChI Key:
DMAOHPSLHOOOPW-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(Br)C
Properties
Complexity:
170  
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:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties