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87712-20-7 | Bicyclo[1.1.0]butane-1-carbonitrile, 3-bromo-
CAS No: 87712-20-7 Catalog No: AG004NBZ MDL No:
Product Description
Catalog Number:
AG004NBZ
Chemical Name:
Bicyclo[1.1.0]butane-1-carbonitrile, 3-bromo-
CAS Number:
87712-20-7
Molecular Formula:
C5H4BrN
Molecular Weight:
157.9960
IUPAC Name:
3-bromobicyclo[1.1.0]butane-1-carbonitrile
InChI:
InChI=1S/C5H4BrN/c6-5-1-4(5,2-5)3-7/h1-2H2
InChI Key:
WTFNJIXZXXCFCJ-UHFFFAOYSA-N
SMILES:
N#CC12CC2(C1)Br
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.953g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.998g/mol
Monoisotopic Mass:
156.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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