Home Other Building Blocks 3-(3-BROMOPHENYL)PROPIONITRILE

3-(3-BROMOPHENYL)PROPIONITRILE

CAS No.:
376646-63-8
Catalog Number:
AG00C8XL
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
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Product Description
Catalog Number:
AG00C8XL
Chemical Name:
3-(3-BROMOPHENYL)PROPIONITRILE
CAS Number:
376646-63-8
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD01310794
IUPAC Name:
3-(3-bromophenyl)propanenitrile
InChI:
InChI=1S/C9H8BrN/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7H,2,4H2
InChI Key:
DCQWMXLVAOMQAN-UHFFFAOYSA-N
SMILES:
N#CCCc1cccc(c1)Br
Properties
Complexity:
158  
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:
2.6  
Properties