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89639-98-5 | (2-Chloro-3-nitrophenyl)methanol
CAS No: 89639-98-5 Catalog No: AG003W3F MDL No:MFCD08236803
Product Description
Catalog Number:
AG003W3F
Chemical Name:
(2-Chloro-3-nitrophenyl)methanol
CAS Number:
89639-98-5
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
MDL Number:
MFCD08236803
IUPAC Name:
(2-chloro-3-nitrophenyl)methanol
InChI:
InChI=1S/C7H6ClNO3/c8-7-5(4-10)2-1-3-6(7)9(11)12/h1-3,10H,4H2
InChI Key:
MOCPJIDJALBRIX-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1Cl)[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
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