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30880-72-9 | Benzoic acid, 3-[(2-chloro-4-nitrophenoxy)methyl]-
CAS No: 30880-72-9 Catalog No: AG0031KV MDL No:MFCD03421912
Product Description
Catalog Number:
AG0031KV
Chemical Name:
Benzoic acid, 3-[(2-chloro-4-nitrophenoxy)methyl]-
CAS Number:
30880-72-9
Molecular Formula:
C14H10ClNO5
Molecular Weight:
307.6859
MDL Number:
MFCD03421912
IUPAC Name:
3-[(2-chloro-4-nitrophenoxy)methyl]benzoic acid
InChI:
InChI=1S/C14H10ClNO5/c15-12-7-11(16(19)20)4-5-13(12)21-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H,17,18)
InChI Key:
VMWNQMAQVXLDIL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)COc1ccc(cc1Cl)[N+](=O)[O-]
NSC Number:
146848
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.025g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.686g/mol
Monoisotopic Mass:
307.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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