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100278-74-8 | Phenol, 5-chloro-4-methyl-2-nitro-
CAS No: 100278-74-8 Catalog No: AG0001G8 MDL No:MFCD19374209
Product Description
Catalog Number:
AG0001G8
Chemical Name:
Phenol, 5-chloro-4-methyl-2-nitro-
CAS Number:
100278-74-8
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
MDL Number:
MFCD19374209
IUPAC Name:
5-chloro-4-methyl-2-nitrophenol
InChI:
InChI=1S/C7H6ClNO3/c1-4-2-6(9(11)12)7(10)3-5(4)8/h2-3,10H,1H3
InChI Key:
SETJTGJUNMPFCU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c(cc1O)Cl
Properties
Complexity:
182
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:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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