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23101-98-6 | Butane, 1-bromo-3-methyl-3-nitro-
CAS No: 23101-98-6 Catalog No: AG002M71 MDL No:
Product Description
Catalog Number:
AG002M71
Chemical Name:
Butane, 1-bromo-3-methyl-3-nitro-
CAS Number:
23101-98-6
Molecular Formula:
C5H10BrNO2
Molecular Weight:
196.0424
IUPAC Name:
1-bromo-3-methyl-3-nitrobutane
InChI:
InChI=1S/C5H10BrNO2/c1-5(2,3-4-6)7(8)9/h3-4H2,1-2H3
InChI Key:
BGSYPAWCMYERMA-UHFFFAOYSA-N
SMILES:
BrCCC([N+](=O)[O-])(C)C
NSC Number:
116812
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.989g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.044g/mol
Monoisotopic Mass:
194.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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