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Home > Bromides > 1273849-47-0
1273849-47-0 | 2-(bromomethyl)-4-methylpentanenitrile
CAS No: 1273849-47-0 Catalog No: AG01B8R6 MDL No:MFCD18294599
Product Description
Catalog Number:
AG01B8R6
Chemical Name:
2-(bromomethyl)-4-methylpentanenitrile
CAS Number:
1273849-47-0
Molecular Formula:
C7H12BrN
Molecular Weight:
190.0809
MDL Number:
MFCD18294599
IUPAC Name:
2-(bromomethyl)-4-methylpentanenitrile
InChI:
InChI=1S/C7H12BrN/c1-6(2)3-7(4-8)5-9/h6-7H,3-4H2,1-2H3
InChI Key:
IBSQLFGQRHRBBK-UHFFFAOYSA-N
SMILES:
BrCC(C#N)CC(C)C
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.015g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.084g/mol
Monoisotopic Mass:
189.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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