Home Nitros (3-Chloro-5-nitrophenyl)methanol

(3-Chloro-5-nitrophenyl)methanol

CAS No.:
79944-62-0
Catalog Number:
AG008KUB
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
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Product Description
Catalog Number:
AG008KUB
Chemical Name:
(3-Chloro-5-nitrophenyl)methanol
CAS Number:
79944-62-0
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
MDL Number:
MFCD08236779
IUPAC Name:
(3-chloro-5-nitrophenyl)methanol
InChI:
InChI=1S/C7H6ClNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4H2
InChI Key:
LKBQUSJJIYIBDP-UHFFFAOYSA-N
SMILES:
OCc1cc(Cl)cc(c1)[N+](=O)[O-]
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.579g/mol
Monoisotopic Mass:
187.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties