200,000+ products from a single source!
sales@angenechem.com
88071-91-4 | Benzoic acid,5-(bromomethyl)-2-nitro-, methyl ester
CAS No: 88071-91-4 Catalog No: AG004HUR MDL No:MFCD20528191
Product Description
Catalog Number:
AG004HUR
Chemical Name:
Benzoic acid,5-(bromomethyl)-2-nitro-, methyl ester
CAS Number:
88071-91-4
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
MDL Number:
MFCD20528191
IUPAC Name:
methyl 5-(bromomethyl)-2-nitrobenzoate
InChI:
InChI=1S/C9H8BrNO4/c1-15-9(12)7-4-6(5-10)2-3-8(7)11(13)14/h2-4H,5H2,1H3
InChI Key:
AJAFGSCUXQKJRK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(CBr)ccc1[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.