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58755-57-0 | 2-Chloro-3-nitrobenzaldehyde
CAS No: 58755-57-0 Catalog No: AG003GVY MDL No:MFCD08236804
Product Description
Catalog Number:
AG003GVY
Chemical Name:
2-Chloro-3-nitrobenzaldehyde
CAS Number:
58755-57-0
Molecular Formula:
C7H4ClNO3
Molecular Weight:
185.5646
MDL Number:
MFCD08236804
IUPAC Name:
2-chloro-3-nitrobenzaldehyde
InChI:
InChI=1S/C7H4ClNO3/c8-7-5(4-10)2-1-3-6(7)9(11)12/h1-4H
InChI Key:
WKIVBBWLRIFGHF-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1Cl)[N+](=O)[O-]
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.988g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.563g/mol
Monoisotopic Mass:
184.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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