COC(=O)CCBr
CAS: 3395-91-3
Name: methyl 3-bromopropanoate
SMILES: COC(=O)CCBr

Molecular Processing

Molecular formula
C4H7BrO2
Molecular weight
167
Exact mass
165.9629
XLogP
0.94
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
30.43

Supplementary Information

InChIKey: KQEVIFKPZOGBMZ-UHFFFAOYSA-N
Synonyme
Methyl 3-bromopropanoateMethyl 3-bromopropionatePropanoic acid, 3-bromo-, methyl ester3-Bromopropionic acid methyl esterMethyl beta-bromopropionate3-Bromopropanoic acid methyl esterPropionic acid, 3-bromo-, methyl esterMethyl .beta.-bromopropionatebeta-Bromopropionic acid, methyl esterNSC 3705EINECS 222-247-5UNII-Y803CH1P4WY803CH1P4WAI3-06001NSC-3705.beta.-Bromopropionic acid, methyl esterDTXSID6063010.BETA.-BROMOPROPIONIC ACID METHYL ESTER.BETA.-BROMOPROPIONIC ACID METHYL ESTER [MI]RefChem:157458DTXCID4038768BETA-BROMOPROPIONIC ACID METHYL ESTERPropionic acid, 3-bromo-, methyl ester (8CI)InChI=1/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1HKQEVIFKPZOGBMZ-UHFFFAOYSA-N3395-91-3methyl-3-bromopropionateMFCD000002503-bromo-propionic acid methyl esterMethyl3-bromopropanoate
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