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14470-12-3 | 4-bromovaleronitrile
CAS No: 14470-12-3 Catalog No: AG00AX5Y MDL No:MFCD21184651
Product Description
Catalog Number:
AG00AX5Y
Chemical Name:
4-bromovaleronitrile
CAS Number:
14470-12-3
Molecular Formula:
C5H8BrN
Molecular Weight:
162.0277
MDL Number:
MFCD21184651
IUPAC Name:
4-bromopentanenitrile
InChI:
InChI=1S/C5H8BrN/c1-5(6)3-2-4-7/h5H,2-3H2,1H3
InChI Key:
HCHUIWDKAUWPJE-UHFFFAOYSA-N
SMILES:
N#CCCC(Br)C
EC Number:
238-462-2
Properties
Complexity:
81.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.984g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.03g/mol
Monoisotopic Mass:
160.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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