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307353-32-8 | Benzoic acid, 3-bromo-5-(hydroxymethyl)-, methyl ester
CAS No: 307353-32-8 Catalog No: AG00313E MDL No:MFCD11040228
Product Description
Catalog Number:
AG00313E
Chemical Name:
Benzoic acid, 3-bromo-5-(hydroxymethyl)-, methyl ester
CAS Number:
307353-32-8
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD11040228
IUPAC Name:
methyl 3-bromo-5-(hydroxymethyl)benzoate
InChI:
InChI=1S/C9H9BrO3/c1-13-9(12)7-2-6(5-11)3-8(10)4-7/h2-4,11H,5H2,1H3
InChI Key:
PWAJHVDGAMQOPF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(CO)cc(c1)Br
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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