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Home > Nitro Compounds > 1273559-19-5
1273559-19-5 | Carbamic acid, N-[(1Z)-2-nitroethenyl]-, 1,1-dimethylethyl ester
CAS No: 1273559-19-5 Catalog No: AG000WXK MDL No:MFCD23135460
Product Description
Catalog Number:
AG000WXK
Chemical Name:
Carbamic acid, N-[(1Z)-2-nitroethenyl]-, 1,1-dimethylethyl ester
CAS Number:
1273559-19-5
Molecular Formula:
C7H12N2O4
Molecular Weight:
188.1812
MDL Number:
MFCD23135460
IUPAC Name:
tert-butyl N-[(Z)-2-nitroethenyl]carbamate
InChI:
InChI=1S/C7H12N2O4/c1-7(2,3)13-6(10)8-4-5-9(11)12/h4-5H,1-3H3,(H,8,10)/b5-4-
InChI Key:
LJOJFHIMERCGSM-PLNGDYQASA-N
SMILES:
O=C(OC(C)(C)C)N/C=C\[N+](=O)[O-]
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
188.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.183g/mol
Monoisotopic Mass:
188.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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