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101329-81-1

101329-81-1 | Benzenemethanol, 2-chloro-4-fluoro-5-nitro-

CAS No: 101329-81-1 Catalog No: AG00048C MDL No:

Product Description

Catalog Number:
AG00048C
Chemical Name:
Benzenemethanol, 2-chloro-4-fluoro-5-nitro-
CAS Number:
101329-81-1
Molecular Formula:
C7H5ClFNO3
Molecular Weight:
205.5709
IUPAC Name:
(2-chloro-4-fluoro-5-nitrophenyl)methanol
InChI:
InChI=1S/C7H5ClFNO3/c8-5-2-6(9)7(10(12)13)1-4(5)3-11/h1-2,11H,3H2
InChI Key:
MYEUMUCLVULHAU-UHFFFAOYSA-N
SMILES:
OCc1cc([N+](=O)[O-])c(cc1Cl)F

Properties

Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.994g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.569g/mol
Monoisotopic Mass:
204.994g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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