Home Halogens 4-(chloromethyl)-3-nitrobenzoic acid

4-(chloromethyl)-3-nitrobenzoic acid

CAS No.:
103440-03-5
Catalog Number:
AG01B22K
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
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Product Description
Catalog Number:
AG01B22K
Chemical Name:
4-(chloromethyl)-3-nitrobenzoic acid
CAS Number:
103440-03-5
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
MDL Number:
MFCD26801843
IUPAC Name:
4-(chloromethyl)-3-nitrobenzoic acid
InChI:
InChI=1S/C8H6ClNO4/c9-4-6-2-1-5(8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)
InChI Key:
OOCUPQDMNUETMI-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.999g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.589g/mol
Monoisotopic Mass:
214.999g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties