Home Nitros 3-methyl-1-nitrobutane

3-methyl-1-nitrobutane

CAS No.:
627-67-8
Catalog Number:
AG00F321
Molecular Formula:
C5H11NO2
Molecular Weight:
117.1463
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Product Description
Catalog Number:
AG00F321
Chemical Name:
3-methyl-1-nitrobutane
CAS Number:
627-67-8
Molecular Formula:
C5H11NO2
Molecular Weight:
117.1463
MDL Number:
MFCD18910255
IUPAC Name:
3-methyl-1-nitrobutane
InChI:
InChI=1S/C5H11NO2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3
InChI Key:
FEJLPMVSVDSKHJ-UHFFFAOYSA-N
SMILES:
CC(CC[N+](=O)[O-])C
EC Number:
211-008-0
UNII:
2044IXU3WI
Properties
Complexity:
75  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.079g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.148g/mol
Monoisotopic Mass:
117.079g/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  
Properties