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115361-26-7 | Benzene, (chloromethyl)nitro-
CAS No: 115361-26-7 Catalog No: AG000GNE MDL No:
Product Description
Catalog Number:
AG000GNE
Chemical Name:
Benzene, (chloromethyl)nitro-
CAS Number:
115361-26-7
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
IUPAC Name:
1-(chloromethyl)-2-nitrobenzene
InChI:
InChI=1S/C7H6ClNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2
InChI Key:
BXCBUWKTXLWPSB-UHFFFAOYSA-N
SMILES:
ClCc1ccccc1[N+](=O)[O-]
EC Number:
210-300-5
UNII:
HB8U484NPM
NSC Number:
66500
UN Number:
3261
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| 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 |
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