Home Nitros 2-Bromo-2-nitropropane

2-Bromo-2-nitropropane

CAS No.:
5447-97-2
Catalog Number:
AG00334V
Molecular Formula:
C3H6BrNO2
Molecular Weight:
167.9892
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Product Description
Catalog Number:
AG00334V
Chemical Name:
2-Bromo-2-nitropropane
CAS Number:
5447-97-2
Molecular Formula:
C3H6BrNO2
Molecular Weight:
167.9892
MDL Number:
MFCD00007389
IUPAC Name:
2-bromo-2-nitropropane
InChI:
InChI=1S/C3H6BrNO2/c1-3(2,4)5(6)7/h1-2H3
InChI Key:
OADSZWXMXIWZSQ-UHFFFAOYSA-N
SMILES:
CC([N+](=O)[O-])(Br)C
EC Number:
226-668-5
NSC Number:
17672
Properties
Complexity:
85.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.958g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.99g/mol
Monoisotopic Mass:
166.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Laser-induced UV photodissociation of 2-bromo-2-nitropropane: dynamics of OH and Br formation. The Journal of chemical physics 20110128
Properties