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Home Other Building Blocks 2-CHLORO-2-NITROPROPANE

2-CHLORO-2-NITROPROPANE

CAS No.:
594-71-8
Catalog Number:
AG00ED5L
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00ED5L
Chemical Name:
2-CHLORO-2-NITROPROPANE
CAS Number:
594-71-8
MDL Number:
MFCD00024807
IUPAC Name:
2-chloro-2-nitropropane
InChI:
InChI=1S/C3H6ClNO2/c1-3(2,4)5(6)7/h1-2H3
InChI Key:
JQYFSFNSNVRUPY-UHFFFAOYSA-N
EC Number:
209-853-5
UNII:
47BO4I4HL2
NSC Number:
3642
UN Number:
1993
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:
123.009g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.536g/mol
Monoisotopic Mass:
123.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity. Bioorganic & medicinal chemistry 20080515
Halogenated volatile organic compounds from the use of chlorine-bleach-containing household products. Environmental science & technology 20080301
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties