Home Nitros 2-Bromo-2-nitroethanol

2-Bromo-2-nitroethanol

CAS No.:
5437-60-5
Catalog Number:
AG00DQQS
Molecular Formula:
C2H4BrNO3
Molecular Weight:
169.9621
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00DQQS
Chemical Name:
2-Bromo-2-nitroethanol
CAS Number:
5437-60-5
Molecular Formula:
C2H4BrNO3
Molecular Weight:
169.9621
MDL Number:
MFCD01728010
IUPAC Name:
2-bromo-2-nitroethanol
InChI:
InChI=1S/C2H4BrNO3/c3-2(1-5)4(6)7/h2,5H,1H2
InChI Key:
OGGHUMVMTWCANK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(CO)Br
NSC Number:
16149
Properties
Complexity:
69.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.937g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.962g/mol
Monoisotopic Mass:
168.937g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Toxicity profile of labile preservative bronopol in water: the role of more persistent and toxic transformation products. Environmental pollution (Barking, Essex : 1987) 20110201
Properties