NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
3-(2-bromophenyl)prop-2-enoic acid
|
(2E)-3-(2-bromophenyl)prop-2-enoic acid
|
|
|
IUPAC Traditional name
|
3-(2-bromophenyl)prop-2-enoic acid
|
(2E)-3-(2-bromophenyl)prop-2-enoic acid
|
|
|
Synonyms
|
2-Bromocinnamic acid
|
3-(2-Bromophenyl)-2-propenoic Acid
|
3-(2-Bromophenyl)acrylic Acid
|
NSC 407679
|
3-(2-Bromophenyl)acrylic acid
|
trans-2-Bromocinnamic acid
|
反式2-溴肉桂酸
|
反式-2-溴肉桂酸
|
|
|
CAS Number
|
|
EC Number
|
|
MDL Number
|
|
Beilstein Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
2
|
H Donor
|
1
|
LogD (pH = 5.5)
|
0.6554639
|
LogD (pH = 7.4)
|
-0.535236
|
Log P
|
2.9048388
|
Molar Refractivity
|
50.6827 cm3
|
Polarizability
|
19.038595 Å3
|
Polar Surface Area
|
37.3 Å2
|
Rotatable Bonds
|
2
|
Lipinski's Rule of Five
|
true
|
Acid pKa
|
3.2296708
|
DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent