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Home > Nitro Compounds > 68621-45-4
68621-45-4 | Carbamic acid, methyl(3-nitrophenyl)-, methyl ester
CAS No: 68621-45-4 Catalog No: AG005P8S MDL No:
Product Description
Catalog Number:
AG005P8S
Chemical Name:
Carbamic acid, methyl(3-nitrophenyl)-, methyl ester
CAS Number:
68621-45-4
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
IUPAC Name:
methyl N-methyl-N-(3-nitrophenyl)carbamate
InChI:
InChI=1S/C9H10N2O4/c1-10(9(12)15-2)7-4-3-5-8(6-7)11(13)14/h3-6H,1-2H3
InChI Key:
IMNYGPGXGQZPBM-UHFFFAOYSA-N
SMILES:
COC(=O)N(c1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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