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832102-55-3 | 1H-Benzimidazol-2-amine, 1-(2-methoxyethyl)-N,N-dimethyl-6-nitro-
CAS No: 832102-55-3 Catalog No: AG004UZI MDL No:
Product Description
Catalog Number:
AG004UZI
Chemical Name:
1H-Benzimidazol-2-amine, 1-(2-methoxyethyl)-N,N-dimethyl-6-nitro-
CAS Number:
832102-55-3
Molecular Formula:
C12H16N4O3
Molecular Weight:
264.2804
IUPAC Name:
1-(2-methoxyethyl)-N,N-dimethyl-6-nitrobenzimidazol-2-amine
InChI:
InChI=1S/C12H16N4O3/c1-14(2)12-13-10-5-4-9(16(17)18)8-11(10)15(12)6-7-19-3/h4-5,8H,6-7H2,1-3H3
InChI Key:
QVUOQAHYAGTRFQ-UHFFFAOYSA-N
SMILES:
COCCn1c(nc2c1cc(cc2)[N+](=O)[O-])N(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.285g/mol
Monoisotopic Mass:
264.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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