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606-27-9 | Methyl 2-nitrobenzoate
CAS No: 606-27-9 Catalog No: AG003ROX MDL No:MFCD00007136
Product Description
Catalog Number:
AG003ROX
Chemical Name:
Methyl 2-nitrobenzoate
CAS Number:
606-27-9
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00007136
IUPAC Name:
methyl 2-nitrobenzoate
InChI:
InChI=1S/C8H7NO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5H,1H3
InChI Key:
AOXPHVNMBPFOFS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1[N+](=O)[O-]
EC Number:
210-111-8
NSC Number:
4136
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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