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Home > Nitro Compounds > 6275-72-5
6275-72-5 | ethyl (3-nitrophenyl)carbamate
CAS No: 6275-72-5 Catalog No: AG00JGP8 MDL No:MFCD00085451
Product Description
Catalog Number:
AG00JGP8
Chemical Name:
ethyl (3-nitrophenyl)carbamate
CAS Number:
6275-72-5
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
MDL Number:
MFCD00085451
IUPAC Name:
ethyl N-(3-nitrophenyl)carbamate
InChI:
InChI=1S/C9H10N2O4/c1-2-15-9(12)10-7-4-3-5-8(6-7)11(13)14/h3-6H,2H2,1H3,(H,10,12)
InChI Key:
JWPGACMNGJBXHB-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1cccc(c1)[N+](=O)[O-]
NSC Number:
36186
Properties
Complexity:
239
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:
1
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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