Name: Name:methyl 3-(cyclopropylmethoxy)-4-nitrobenzoate
Brand: Angene
SKU: AG01DHOM
Rating: 90 (10 reviews)

methyl 3-(cyclopropylmethoxy)-4-nitrobenzoate

CAS No.:

1239278-72-8

Catalog Number:

AG01DHOM

Molecular Formula:

C12H13NO5

Molecular Weight:

251.2353

Catalog Number:

AG01DHOM

Chemical Name:

methyl 3-(cyclopropylmethoxy)-4-nitrobenzoate

CAS Number:

1239278-72-8

Molecular Formula:

C12H13NO5

Molecular Weight:

251.2353

MDL Number:

MFCD26413835

IUPAC Name:

methyl 3-(cyclopropylmethoxy)-4-nitrobenzoate

InChI:

InChI=1S/C12H13NO5/c1-17-12(14)9-4-5-10(13(15)16)11(6-9)18-7-8-2-3-8/h4-6,8H,2-3,7H2,1H3

InChI Key:

XJAGTAYJYBVTIH-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(c(c1)OCC1CC1)[N+](=O)[O-]

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.238g/mol

Monoisotopic Mass:

251.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3