Home Halogens 2-bromo-3-phenylbutanenitrile, Mixture of diastereomers

2-bromo-3-phenylbutanenitrile, Mixture of diastereomers

CAS No.:
1018986-05-4
Catalog Number:
AG01C03B
Molecular Formula:
C10H10BrN
Molecular Weight:
224.0971
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Product Description
Catalog Number:
AG01C03B
Chemical Name:
2-bromo-3-phenylbutanenitrile, Mixture of diastereomers
CAS Number:
1018986-05-4
Molecular Formula:
C10H10BrN
Molecular Weight:
224.0971
MDL Number:
MFCD25986876
IUPAC Name:
2-bromo-3-phenylbutanenitrile
InChI:
InChI=1S/C10H10BrN/c1-8(10(11)7-12)9-5-3-2-4-6-9/h2-6,8,10H,1H3
InChI Key:
LKUQURIPHCQJMN-UHFFFAOYSA-N
SMILES:
CC(C(C#N)Br)c1ccccc1
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.101g/mol
Monoisotopic Mass:
223g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties